Ligand id: 8728

Name: (5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 109.74
Molecular weight 346.02
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Storaska AJ, Mei JP, Wu M, Li M, Wade SM, Blazer LL, Sj√∂gren B, Hopkins CR, Lindsley CW, Lin Z et al.. (2013)
Reversible inhibitors of regulators of G-protein signaling identified in a high-throughput cell-based calcium signaling assay.
Cell. Signal., 25 (12): 2848-55. [PMID:24041654]