UCSF4226

Ligand id: 10667

Name: UCSF4226

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 34.15
Molecular weight 292.02
XLogP 2.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Stein RM, Kang HJ, McCorvy JD, Glatfelter GC, Jones AJ, Che T, Slocum S, Huang XP, Savych O, Moroz YS et al.. (2020)
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.
Nature, 579 (7800): 609-614. [PMID:32040955]