UCSF

ZINC13743050

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 17 No

Popular Name: N-[2-(1H-imidazol-4-yl)ethyl]-3-nitro-pyridin-2-amine 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) 0.84 6.2 -41.09 3 7 1 101 234.239 5 ↓
Ref Reference (pH 7) 0.84 6.23 -41.18 3 7 1 101 234.239 5 ↓
Mid Mid (pH 6-8) 0.84 5.9 -50.49 3 7 1 101 234.239 5 ↓
Mid Mid (pH 6-8) 0.84 6.4 -99.66 4 7 2 102 235.247 5 ↓
Mid Mid (pH 6-8) 0.84 5.72 -12.39 2 7 0 99 233.231 5 ↓
Mid Mid (pH 6-8) 0.84 5.64 -14.48 2 7 0 99 233.231 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 240 0.55 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 240 0.55 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.