compound 20 [PMID: 23489211]

Ligand id: 8124

Name: compound 20 [PMID: 23489211]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 102.42
Molecular weight 562.38
XLogP 9.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Incerti M, Tognolini M, Russo S, Pala D, Giorgio C, Hassan-Mohamed I, Noberini R, Pasquale EB, Vicini P, Piersanti S et al.. (2013)
Amino acid conjugates of lithocholic acid as antagonists of the EphA2 receptor.
J. Med. Chem.56 (7): 2936-47. [PMID:23489211]