Ligand id: 4134

Name: AP18

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 32.59
Molecular weight 209.06
XLogP 3.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Petrus M, Peier AM, Bandell M, Hwang SW, Huynh T, Olney N, Jegla T, Patapoutian A. (2007)
A role of TRPA1 in mechanical hyperalgesia is revealed by pharmacological inhibition.
Mol Pain, 3: 40. [PMID:18086313]