UCSF

ZINC40163695

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 9 Yes

Popular Name: 2-(2-Methyl-1H-imidazol-5-yl)ethanamine hydrochloride 2-(2-Methyl-1H-imidazol-5-yl)eth…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34392-54-6 , 36376-45-1 , 857818-08-7 , N/A , [36376-45-1] , [857818-08-7]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.76 0.7 -42.42 4 3 1 56 126.183 2 ↓
Mid Mid (pH 6-8) -0.76 1.12 -94.52 5 3 2 58 127.191 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH4-2-E Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 794 0.95 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 794.328235 0.95 Binding ≤ 1μM
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 794.328235 0.95 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

Analogs ( Draw Identity 99% 90% 80% 70% )