UCSF

ZINC13743048

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 13 Yes

Popular Name: N-[2-(1H-imidazol-4-yl)ethyl]thiazol-2-amine N-[2-(1H-imidazol-4-yl)ethyl]thi…

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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) 0.88 3.9 -11.16 2 4 0 54 194.263 4 ↓
Mid Mid (pH 6-8) 0.88 3.76 -10.75 2 4 0 54 194.263 4 ↓
Mid Mid (pH 6-8) 0.88 4.27 -38.17 3 4 1 55 195.271 4 ↓
Lo Low (pH 4.5-6) 0.88 4.72 -79.78 4 4 2 56 196.279 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 340 0.70 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 340 0.70 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.