Ligand Id: 1204
Ligand name histamine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 54.7
Molecular weight 111.08
XLogP -0.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Metabolite or derivative
IUPAC Name
2-(3H-imidazol-4-yl)ethanamine
Synonyms
2-(3H-imidazol-4-yl)ethanamine
Database Links
CAS Registry No. 51-45-6 (source: ChEBI)
ChEBI CHEBI:18295
ChEMBL Ligand 108910
Human Metabolome Database HMDB00870
PubChem CID 774
RCSB PDB Ligand HSM
Search Google for chemical match using the InChIKey NTYJJOPFIAHURM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NTYJJOPFIAHURM
Wikipedia Histamine
ZINC ZINC18217584

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