Ligand id: 2070

Name: BN-81,644

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 56.5
Molecular weight 426.28
XLogP 8.65
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Poitout L, Roubert P, Contour-Galcera MO, Moinet C, Lannoy J, Pommier J, Plas P, Bigg D, Thurieau C. (2001)
Identification of potent non-peptide somatostatin antagonists with sst(3) selectivity.
J Med Chem, 44: 2990-3000. [PMID:11520208]