Ligand id: 9585

Name: AZ8838

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 48.91
Molecular weight 234.12
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, DorĂ© AS et al.. (2017)
Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545 (7652): 112-115. [PMID:28445455]