Ligand id: 3486

Name: 2,3-dihydro-1,4-dithiin-1,1,4,4-tetroxide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 85.04
Molecular weight 181.97
XLogP -0.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Scott MK, Ross TM, Lee DH, Wang HY, Shank RP, Wild KD, Davis CB, Crooke JJ, Potocki AC, Reitz AB. (2000)
2,3-Dihydro-dithiin and -dithiepine-1,1,4,4-tetroxides: small molecule non-peptide antagonists of the human galanin hGAL-1 receptor.
Bioorg. Med. Chem., 8 (6): 1383-91. [PMID:10896115]