How to Understand Aqueous Ionization and Its Influence on Key Physical Properties of Drugs

Authors: Fraczkiewicz R
Conference: Drug Discovery Chemistry
Keywords: aqueous ionization, aqueous solubility, pH dependent solubility, pKa
Software: ADMET Predictor®
Division: 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