Ligand Id: 1250
Ligand name imetit

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 103.85
Molecular weight 170.06
XLogP 0.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide
Synonyms
S-(2-(4-Imidazolyl)ethyl)isothiourea
Database Links
BindingDB Ligand 22911
CAS Registry No. 102203-18-9 (source: Scifinder)
ChEMBL Ligand 122385
PubChem CID 3692
Search Google for chemical match using the InChIKey PEHSVUKQDJULKE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PEHSVUKQDJULKE
Wikipedia Imetit
ZINC ZINC05425255

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