摘要: p K a has been studied for many years, providing solid body of research and quality measurements upon which reliable tools prediction compounds can be based application in medicinal chemistry. Knowledge the substructures lead structure allows “tuning” ionizability order to modify its permeability solubility. Databases provide useful source comparison data that have reported. Software from greatly progressed. software more advanced information chemists. applied when planning synthesis structural series analogs, goal is or solubility by substitution with varying values optimize absorption. Two higher-throughput methods are introduced this chapter. Each implemented drug discovery laboratories proper equipment, each offered as an integrated commercial instrument.