gallic acid

Ligand id: 5549

Name: gallic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 97.99
Molecular weight 170.02
XLogP 1.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Innocenti A, Beyza Oztürk Sarikaya S, Gülçin I, Supuran CT. (2010)
Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids.
Bioorg. Med. Chem., 18 (6): 2159-64. [PMID:20185318]