compound 21b [PMID: 12723954]

Ligand id: 630

Name: compound 21b [PMID: 12723954]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 12
Topological polar surface area 98.05
Molecular weight 475.18
XLogP 7.4
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Weber D, Berger C, Eickelmann P, Antel J, Kessler H. (2003)
Design of selective peptidomimetic agonists for the human orphan receptor BRS-3.
J Med Chem., 46: 1918-1930. [PMID:12723954]