Physicochemical Properties in Drug Profiling

This chapter contains sections titled: Introduction Physicochemical Properties and Pharmacokinetics DMPK Lipophilicity – Permeability – Absorption Estimation of Volume of Distribution from Physical Chemistry PPB and Physicochemical Properties Dissolution and Solubility Calculated Solubility Ionization (pKa) Calculated pKa Molecular Size and Shape Calculated Size Descriptors H-bonding Calculated H-bonding descriptors Lipophilicity Calculated log P and log D Permeability Artificial Membranes and PAMPA In Silico PAMPA IAM, Immobilized Liposome Chromatography (ILC), Micellar Electrokinetic Chromatography (MEKC) and Biopartitioning Micellar Chromatography (BMC) Liposome Partitioning Biosensors Amphiphilicity Drug-like Properties Computation versus Measurement of Physicochemical Properties QSAR Modeling In Combo: Using the Best of two Worlds Outlook