Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?

The front cover artwork is provided by CBio3 Laboratory and Computational Toxicology and Artificial Intelligence Laboratory (LaToxCIA) both at the University of Costa Rica. The image shows the formalisms commonly used to determine the pH‐dependent lipophilicity profile of ionizable compounds. Herein, for 4‐phenylbutylamine it is accurately predicted when the apparent ion pair partitioning is considered. Read the full text of the Research Article at 10.1002/cphc.202300548. “Lipophilicity is a physicochemical property with wide relevance in drug design, computational biology, food, environmental and medicinal chemistry. In this work, the impact of the apparent ion pair partitioning on the prediction of the experimental lipophilicity of small molecules and experimental lipophilicity‐based applications and metrics is studied…” This and more about the story behind the front cover can be found in the Research Article at 10.1002/cphc.202300548.