Ligand id: 417


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 151.57
Molecular weight 386.17
XLogP 0.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kull B, Arslan G, Nilsson C, Owman C, Lorenzen A, Schwabe U, Fredholm BB. (1999)
Differences in the order of potency for agonists, but not antagonists, at human and rat adenosine A2A receptors.
Biochem. Pharmacol.57: 65-75. [PMID:9920286]