While drug discovery scientists take heed of various guidelines concerning drug-like
character, the influence of acid/base properties often remains under-scrutinised. Ionisation …

The acid-base dissociation constant (p K a) of a drug is a key physicochemical parameter
influencing many biopharmaceutical characteristics. While this has been well established …

The acid/base properties of a molecule are among the most fundamental for drug action.
However, they are often overlooked in a prospective design manner unless it has been …

Acid–base ionization constant (p K a) values have considerable influence on the
physicochemical and pharmacokinetic properties of therapeutic substances. A set of 907 …

Purpose Assessment of the accuracy of experimental and theoretical methods of pKa
determination for acids and bases as separate classes. Methods Four literature pKa …

Using databases of oral drugs and recent compounds from the patents of major
pharmaceutical companies, trends in molecular properties over time are identified. It is …

An early prediction of physicochemical properties is highly desirable during drug discovery
to find out a viable lead candidate. Although there are several methods available to …

Physicochemical screens are increasingly used in drug discovery to provide an early
understanding of key properties that affect ADME. They also insure that discovery …

The Orange Book database published by the US Drug and Food Administration (FDA) was
analyzed for the frequency of occurrence of different counterions used for the formation of …

Aim: Salt formation is a widely used approach to improve the physicochemical and solid
state properties of an active pharmaceutical ingredient. In order to better understand the …