UCSF

ZINC11535559

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2008 14 No

Popular Name: (3Z)-3-[2-(1H-imidazol-4-yl)ethylimino]cyclopentan-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) 0.33 4.16 -21.66 2 4 0 58 191.234 4 ↓
Hi High (pH 8-9.5) 0.87 3.27 -49.72 1 4 -1 64 190.226 3 ↓
Mid Mid (pH 6-8) 0.12 -1.27 -99.01 3 4 2 61 193.25 3 ↓
Mid Mid (pH 6-8) 0.87 2.75 -52.51 2 4 0 65 191.234 3 ↓
Mid Mid (pH 6-8) 0.33 4.62 -49.97 3 4 1 59 192.242 4 ↓

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

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