Ligand id: 6333


Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 19
Hydrogen bond donors 7
Rotatable bonds 11
Topological polar surface area 317.21
Molecular weight 601.08
XLogP -5.29
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Grubisha O, Rafty LA, Takanishi CL, Xu X, Tong L, Perraud AL, Scharenberg AM, Denu JM. (2006)
Metabolite of SIR2 reaction modulates TRPM2 ion channel.
J. Biol. Chem., 281 (20): 14057-65. [PMID:16565078]