Ligand id: 6401

Name: SN-1

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 127.35
Molecular weight 461.21
XLogP 4.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Grimm C, Jörs S, Saldanha SA, Obukhov AG, Pan B, Oshima K, Cuajungco MP, Chase P, Hodder P, Heller S. (2010)
Small molecule activators of TRPML3.
Chem. Biol., 17 (2): 135-48. [PMID:20189104]