BMS compound 16 [PMID:23368907]

Ligand id: 5808

Name: BMS compound 16 [PMID:23368907]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 72.48
Molecular weight 445.16
XLogP 7.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Zhang D, Gao ZG, Zhang K, Kiselev E, Crane S, Wang J, Paoletta S, Yi C, Ma L, Zhang W et al.. (2015)
Two disparate ligand-binding sites in the human P2Y1 receptor.
Nature520 (7547): 317-21. [PMID:25822790]