topological polar surface area

initialism: TPSA
https://doi.org/10.1351/goldbook.11526

An approximation to polar surface area that is calculated from the 2D structure.

Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 258 [Terms] [Paper]
Citation: 'topological polar surface area' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.11526 RIS BibTex EndNote
Div. VIITextXMLJSON