UCSF

ZINC13743051

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 18 Yes

Popular Name: N-[2-(1H-imidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine N-[2-(1H-imidazol-4-yl)ethyl]-5-…

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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) 1.83 5.93 -40.85 3 4 1 55 257.239 5 ↓
Ref Reference (pH 7) 1.83 5.96 -40.86 3 4 1 55 257.239 5 ↓
Mid Mid (pH 6-8) 1.83 5.74 -42.64 3 4 1 55 257.239 5 ↓
Mid Mid (pH 6-8) 1.83 6.23 -89.61 4 4 2 56 258.247 5 ↓
Mid Mid (pH 6-8) 1.83 5.45 -9.1 2 4 0 54 256.231 5 ↓
Mid Mid (pH 6-8) 1.83 5.43 -9.99 2 4 0 54 256.231 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 17 0.60 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 17 0.60 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.