A-967079

Ligand id: 6280

Name: A-967079

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 32.59
Molecular weight 207.11
XLogP 3.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Chen J, Joshi SK, DiDomenico S, Perner RJ, Mikusa JP, Gauvin DM, Segreti JA, Han P, Zhang XF, Niforatos W et al.. (2011)
Selective blockade of TRPA1 channel attenuates pathological pain without altering noxious cold sensation or body temperature regulation.
Pain152 (5): 1165-72. [PMID:21402443]