Ligand id: 4033

Name: GW803430

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 84.31
Molecular weight 481.12
XLogP 4.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hertzog DL, Al-Barazanji KA, Bigham EC, Bishop MJ, Britt CS, Carlton DL, Cooper JP, Daniels AJ, Garrido DM, Goetz AS et al.. (2006)
The discovery and optimization of pyrimidinone-containing MCH R1 antagonists.
Bioorg. Med. Chem. Lett., 16 (18): 4723-7. [PMID:16870432]