UCSF

ZINC13743053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 15 Yes

Popular Name: N-[2-(1H-imidazol-4-yl)ethyl]pyridine-2,5-diamine N-[2-(1H-imidazol-4-yl)ethyl]pyr…

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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) 0.58 2.86 -38.72 5 5 1 81 204.257 4 ↓
Ref Reference (pH 7) 0.58 2.89 -38.77 5 5 1 81 204.257 4 ↓
Mid Mid (pH 6-8) 0.58 3.33 -78.96 6 5 2 82 205.265 4 ↓
Mid Mid (pH 6-8) 0.58 2.23 -12.18 4 5 0 80 203.249 4 ↓
Mid Mid (pH 6-8) 0.58 2.84 -33.66 5 5 1 81 204.257 4 ↓
Mid Mid (pH 6-8) 0.58 2.38 -9.64 4 5 0 80 203.249 4 ↓
Mid Mid (pH 6-8) 0.58 3.35 -78.75 6 5 2 82 205.265 4 ↓
Mid Mid (pH 6-8) 0.58 2.87 -29.33 5 5 1 81 204.257 4 ↓

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 186 0.63 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 186 0.63 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.