UCSF

ZINC13592604

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 17 Yes

Popular Name: N-[2-(1H-imidazol-4-yl)ethyl]-2-phenyl-acetamide N-[2-(1H-imidazol-4-yl)ethyl]-2-…

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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) 1.25 6.11 -42.51 3 4 1 59 230.291 5 ↓
Ref Reference (pH 7) 1.25 6.09 -42.5 3 4 1 59 230.291 5 ↓
Mid Mid (pH 6-8) 1.25 5.6 -15.35 2 4 0 58 229.283 5 ↓
Mid Mid (pH 6-8) 1.25 5.62 -15.77 2 4 0 58 229.283 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH3-2-E Histamine H3 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1000 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 1000 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

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