Ligand id: 6795

Name: allopurinol

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 74.43
Molecular weight 136.04
XLogP 0.46
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]