Ligand id: 1747

Name: MRS2693

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 6
Topological polar surface area 237.46
Molecular weight 529.9
XLogP -3.15
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Besada P, Shin DH, Costanzi S, Ko H, Mathé C, Gagneron J, Gosselin G, Maddileti S, Harden TK, Jacobson KA. (2006)
Structure-activity relationships of uridine 5'-diphosphate analogues at the human P2Y6 receptor.
J. Med. Chem., 49 (18): 5532-43. [PMID:16942026]