Ligand id: 2834

Name: DY131

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 64.93
Molecular weight 311.16
XLogP 4.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Yu DD, Forman BM. (2005)
Identification of an agonist ligand for estrogen-related receptors ERRbeta/gamma.
Bioorg. Med. Chem. Lett., 15 (5): 1311-3. [PMID:15713377]
2. Zuercher WJ, Gaillard S, Orband-Miller LA, Chao EY, Shearer BG, Jones DG, Miller AB, Collins JL, McDonnell DP, Willson TM. (2005)
Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma.
J. Med. Chem., 48 (9): 3107-9. [PMID:15857113]