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Related Concept Videos

Solubility Equilibria03:07

Solubility Equilibria

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Solubility equilibria are established when the dissolution and precipitation of a solute species occur at equal rates. These equilibria underlie many natural and technological processes, ranging from tooth decay to water purification. An understanding of the factors affecting compound solubility is, therefore, essential to the effective management of these processes. This section applies previously introduced equilibrium concepts and tools to systems involving dissolution and precipitation.
The...
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Chemical Reactions in Aqueous Solutions03:03

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Chemical substances interact in many different ways. Certain chemical reactions exhibit common patterns of reactivity. Due to the vast number of chemical reactions, it becomes necessary to classify them based on the observed patterns of interaction.
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Solubility of Ionic Compounds02:55

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Solubility is the measure of the maximum amount of solute that can be dissolved in a given quantity of solvent at a given temperature and pressure. Solubility is usually measured in molarity (M) or moles per liter (mol/L). A compound is termed soluble if it dissolves in water.
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Factors Affecting Solubility04:01

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Compared with pure water, the solubility of an ionic compound is less in aqueous solutions containing a common ion (one also produced by dissolution of the ionic compound). This is an example of a phenomenon known as the common ion effect, which is a consequence of the law of mass action that may be explained using Le Chȃtelier’s principle. Consider the dissolution of silver iodide:
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Bioavailability Enhancement: Drug Solubility Enhancement01:16

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Body:Bioavailability is a critical factor in determining a drug's effectiveness. It refers to the proportion of a drug that enters the circulation when introduced into the body and is, as a result, able to have an active effect. Enhancing bioavailability is essential for drugs with poor solubility, as it can significantly impact their therapeutic efficacy. Various methods are employed to increase the solubility of drugs, thereby enhancing their bioavailability.Micronization and nanonization are...
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Physical Properties Affecting Solubility02:19

Physical Properties Affecting Solubility

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Solutions of Gases in Liquids
As for any solution, the solubility of a gas in a liquid is affected by the attractive intermolecular forces between solute and solvent species. Unlike solid and liquid solutes, however, there is no solute-solute intermolecular attraction to overcome when a gaseous solute dissolves in a liquid solvent since the atoms or molecules comprising a gas are far separated and experience negligible interactions. Consequently, solute-solvent interactions are the sole...
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Updated: Feb 7, 2026

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
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Aqueous Drug Solubility: What Do We Measure, Calculate and QSPR Predict?

Oleg A Raevsky1, Veniamin Y Grigorev1, Daniel E Polianczyk1

  • 1Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds, Russian Academy of Science, Chernogolovka, Russian Federation.

Mini Reviews in Medicinal Chemistry
|July 31, 2018
PubMed
Summary

This review critically analyzes quantitative structure-property relationship (QSPR) studies for aqueous solubility. It covers various solubility types, molecular descriptors, and modeling techniques, offering insights into predicting drug solubility.

Keywords:
ADMETAqueous solubilityQSPRmethods and modelsmolecular descriptorsthermodynamic.

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Area of Science:

  • Medicinal Chemistry
  • Computational Chemistry
  • Pharmacokinetics

Background:

  • Aqueous solubility is a critical parameter in drug discovery and development.
  • Accurate prediction of aqueous solubility is essential for optimizing pharmacokinetic properties.
  • Quantitative Structure-Property Relationship (QSPR) models are widely used for solubility prediction.

Purpose of the Study:

  • To provide a comprehensive critical analysis of existing QSPR studies focused on aqueous solubility.
  • To discuss different types of aqueous solubility and their relevance in drug development.
  • To evaluate the diverse range of molecular descriptors and modeling techniques employed in QSPR for solubility.

Main Methods:

  • Systematic review and critical analysis of published literature on QSPR for aqueous solubility.
  • Categorization of aqueous solubility definitions (thermodynamic, intrinsic, physiological, kinetic).
  • Analysis of molecular descriptors, including topological, physicochemical, and quantum chemical descriptors.
  • Evaluation of statistical and machine learning methods used in QSPR modeling.

Main Results:

  • Identified a wide variety of QSPR approaches for predicting different types of aqueous solubility.
  • Highlighted the strengths and limitations of various molecular descriptors and modeling techniques.
  • Discussed the importance of selecting appropriate solubility definitions and descriptors for accurate QSPR models.

Conclusions:

  • QSPR is a valuable tool for predicting aqueous solubility, aiding in early-stage drug design.
  • Further research is needed to develop more robust and generalizable QSPR models for diverse chemical spaces.
  • Standardization of solubility definitions and descriptor selection can improve the reliability of QSPR predictions.