Ligand id: 9541

Name: 5-BDBD

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 54.6
Molecular weight 354
XLogP 3.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jacobson KA, Müller CE. (2016)
Medicinal chemistry of adenosine, P2Y and P2X receptors.
Neuropharmacology104: 31-49. [PMID:26686393]
2. North RA, Jarvis MF. (2013)
P2X receptors as drug targets.
Mol. Pharmacol.83 (4): 759-69. [PMID:23253448]