In Silico and RP HPLC Studies of Biologically Active 1,3,4-Thiadiazol-2-yl)-benzene-1,3-diols

Biologically active compounds from the 1,3,4-thiadiazol-2-yl)-benzene-1,3-diols group described earlier have been studied. Various approaches were used to determine their lipophilicity and predict pharmacokinetic properties. The lipophilicity parameters log k_w were determined using isocratic column chromatography and various stationary phases. Based on the standard curve and retention measurements by using an octadecyl column, the log D_7.4 distribution coefficient was determined. A weak correlation was found between the experimentally determined log k_w parameters and the in silico calculated log P descriptors. It was shown that the compounds partially exist in an ionized anionic form at physiological pH. The determined log D_7.4 parameter indicates that most of them have lipophilic character at the level recommended for potential drugs.