Ligand id: 7270

Name: phenylbutazone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 40.62
Molecular weight 308.15
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Look GC, Schullek JR, Holmes CP, Chinn JP, Gordon EM, Gallop MA. (1996)
The identification of cyclooxygenase-1 inhibitors from 4-thiazolidinone combinatorial libraries.
Bioorganic & Medicinal Chemistry Letters, 6 (6): 707-712.
2. Wilkerson WW, Copeland RA, Covington M, Trzaskos JM. (1995)
Antiinflammatory 4,5-diarylpyrroles. 2. Activity as a function of cyclooxygenase-2 inhibition.
J. Med. Chem., 38 (20): 3895-901. [PMID:7562922]