UCSF

ZINC11535558

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2008 15 No

Popular Name: (3Z)-3-[2-(1H-imidazol-4-yl)ethylimino]cyclohexan-1-one (3Z)-3-[2-(1H-imidazol-4-yl)ethy…

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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 4.72 -22.46 2 4 0 58 205.261 4 ↓
Hi High (pH 8-9.5) 1.37 2.88 -50.04 1 4 -1 64 204.253 3 ↓
Mid Mid (pH 6-8) 0.63 -1.19 -95.63 3 4 2 61 207.277 3 ↓
Mid Mid (pH 6-8) 0.84 5.18 -49.06 3 4 1 59 206.269 4 ↓

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

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