Ligand id: 5146

Name: BAY412272

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 82.51
Molecular weight 360.15
XLogP 3.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Stasch JP, Becker EM, Alonso-Alija C, Apeler H, Dembowsky K, Feurer A, Gerzer R, Minuth T, Perzborn E, Pleiss U et al.. (2001)
NO-independent regulatory site on soluble guanylate cyclase.
Nature, 410 (6825): 212-5. [PMID:11242081]