Ligand id: 9560

Name: AZ3451

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 89.17
Molecular weight 570.13
XLogP 7.4
No. Lipinski's rules broken 1

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]