How to Understand Aqueous Ionization and Its Influence on Key Physical Properties of Drugs
Keywords: aqueous ionization, aqueous solubility, pH dependent solubility, pKaSoftware: ADMET Predictor®Conference: Drug Discovery ChemistryDivision: Simulations Plus
Outline
- Part I: Clearing Up Myths About Aqueous Ionization of Drugs
- Myth #1: apparent pKa can always be “assigned” to functional groups
- Myth #2: apparent pKa can always be “labeled” as either acidic, or basic
- Part II: Understanding the pH Dependence of Aqueous Solubility
- Part III: Understanding the pH Dependence of Partitioning
Cambridge Healthtech’s Drug Discovery Chemistry 2018, April 3-5,2018, San Diego, CA
By Robert Fraczkiewicz
