[Estimation of protein binding by means of the HMO-LCAO-method (author's transl)]

Calculating the protein binding of six drug series the value sigma/sigma net charge/Mol turned out to be characteristic if the effects of substitutents were considered. Single- and multiple-substituted compounds were calculated in separate groups. For aliphatic-substituted compounds a classification resulted from the length of the substituted chain and from characteristic atoms. Substitution in 3- or 4-position made no significant differences. As an additional value sigma SAP/Mol may be applied to aromatic-substituted compounds.