Ligand id: 679

Name: anatibant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 175.95
Molecular weight 710.18
XLogP 5.36
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Pruneau D, Paquet JL, Luccarini JM, Defrêne E, Fouchet C, Franck RM, Loillier B, Robert C, Bélichard P, Duclos H, Cremers B, Dodey P. (1999)
Pharmacological profile of LF 16-0687, a new potent non-peptide bradykinin B2 receptor antagonist.
Immunopharmacology43: 187-194. [PMID:10596852]