UCSF

ZINC06448651

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 18 Yes

Popular Name: N-[2-(1H-imidazol-4-yl)ethyl]-3-phenyl-propanamide N-[2-(1H-imidazol-4-yl)ethyl]-3-…

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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) 1.77 6.42 -14.42 2 4 0 58 243.31 6 ↓
Mid Mid (pH 6-8) 1.77 6.82 -43.05 3 4 1 59 244.318 6 ↓
Mid Mid (pH 6-8) 1.77 6.4 -13.62 2 4 0 58 243.31 6 ↓

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 631 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 630.957344 0.48 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.