UCSF

ZINC13591247

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 19 Yes

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

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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) 2.04 7.7 -42.61 3 4 1 59 258.345 7 ↓
Ref Reference (pH 7) 2.04 7.67 -42.61 3 4 1 59 258.345 7 ↓
Mid Mid (pH 6-8) 2.04 7.19 -15.8 2 4 0 58 257.337 7 ↓
Mid Mid (pH 6-8) 2.04 7.21 -16.37 2 4 0 58 257.337 7 ↓

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 79 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 79.4328235 0.52 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

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

No pre-computed analogs available. Try a structural similarity search.