regadenoson

Ligand id: 5596

Name: regadenoson

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 186.46
Molecular weight 390.14
XLogP -2.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Jacobson KA, Gao ZG. (2006)
Adenosine receptors as therapeutic targets.
Nat Rev Drug Discov5 (3): 247-64. [PMID:16518376]