Ligand id: 10665

Name: UCSF3384

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 53.6
Molecular weight 292.17
XLogP 5.76
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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]