Ligand id: 1727

Name: [3H]MRS2279    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 208.77
Molecular weight 471.05
XLogP -1.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Waldo GL, Corbitt J, Boyer JL, Ravi G, Kim HS, Ji XD, Lacy J, Jacobson KA, Harden TK. (2002)
Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist.
Mol Pharmacol, 62: 1249-1257. [PMID:12391289]