[3H]histamine   Click here for help

GtoPdb Ligand ID: 1247

PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 54.7
Molecular weight 111.08
XLogP -0.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1cnc[nH]1
Isomeric SMILES NCCc1cnc[nH]1
InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChI Key NTYJJOPFIAHURM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(3H-imidazol-4-yl)ethanamine
Database Links Click here for help
ChEMBL Ligand CHEMBL90
DrugCentral Ligand 1375
GtoPdb PubChem SID 135651565
PubChem CID 774
RCSB PDB Ligand HSM
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