Ligand Id: 2338
Ligand name bithionol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 65.76
Molecular weight 353.88
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
DrugBank groups withdrawn
IUPAC Name
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
International Nonproprietary Names
INN number INN
201 bithionol
Synonyms
2,2'-sulfanediylbis(4,6-dichlorophenol)
Database Links
BindingDB Ligand 36880
CAS Registry No. 97-18-7 (source: DrugBank)
ChEBI CHEBI:3131
ChEMBL Ligand 146656
DrugBank Ligand DB04813
PubChem CID 2406
RCSB PDB Ligand B1T
Search on ChemSpider JFIOVJDNOJYLKP-UHFFFAOYSA-N
Wikipedia Bithionol
ZINC ZINC00608213

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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