Modern Drug Discovery. 2004; 7(9): 41-44

Understanding Polyelectrolytes

Robert S. DeWitte

Summary

Researchers rely on computer programs to predict the ionization states of druglike molecules. This article demonstrates how ACD/MedChem Advisor is used to calculate the pK_a values of drug candidates and present the proportion of ionic forms as well as their impact on expected values of solubility and logD.

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