UCSF

ZINC54931662

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 11 Yes

Popular Name: 1-(azetidin-3-yl)-2-ethyl-imidazole 1-(azetidin-3-yl)-2-ethyl-imidazole

Find On: PubMed — Wikipedia — Google

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) 0.29 3.44 -50.98 2 3 1 34 152.221 2 ↓
Hi High (pH 8-9.5) 0.29 2.23 -27.12 2 3 1 31 152.221 2 ↓
Hi High (pH 8-9.5) 0.29 1.75 -5.89 1 3 0 30 151.213 2 ↓
Mid Mid (pH 6-8) 0.29 3.91 -95.45 3 3 2 36 153.229 2 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.