THI

Ligand id: 6626

Name: THI

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 126.67
Molecular weight 230.09
XLogP -2.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-3H-imidazol-2-yl]ethanone
Synonyms
2-acetyl-5-tetrahydroxybutyl imidazole
Database Links
CAS Registry No. 94944-70-4 (source: Scifinder)
ChEMBL Ligand CHEMBL488336
PubChem CID 108037
Search Google for chemical match using the InChIKey CQSIXFHVGKMLGQ-BWZBUEFSSA-N
Search Google for chemicals with the same backbone CQSIXFHVGKMLGQ
Search UniChem for chemical match using the InChIKey CQSIXFHVGKMLGQ-BWZBUEFSSA-N
Search UniChem for chemicals with the same backbone CQSIXFHVGKMLGQ