Ligand id: 6795

Name: allopurinol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 53.16
Molecular weight 137.05
XLogP -0.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Biagi G, Costantini A, Costantino L, Giorgi I, Livi O, Pecorari P, Rinaldi M, Scartoni V. (1996)
Synthesis and biological evaluation of new imidazole, pyrimidine, and purine derivatives and analogs as inhibitors of xanthine oxidase.
J. Med. Chem., 39 (13): 2529-35. [PMID:8691450]