UCSF

ZINC04736925

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 30 No

Popular Name: 4-[1-[2-(1H-imidazol-4-yl)ethylamino]ethylidene]-2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-one 4-[1-[2-(1H-imidazol-4-yl)ethyla…

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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) 3.02 9.97 -54.22 3 7 1 86 402.478 7 ↓
Mid Mid (pH 6-8) 3.50 -1.7 -35.67 2 7 1 84 402.478 7 ↓
Mid Mid (pH 6-8) 3.02 9.49 -20.23 2 7 0 85 401.47 7 ↓
Mid Mid (pH 6-8) 3.02 9.51 -18.94 2 7 0 85 401.47 7 ↓
Mid Mid (pH 6-8) 3.02 9.78 -18.86 2 7 0 85 401.47 7 ↓
Mid Mid (pH 6-8) 3.02 9.76 -20.52 2 7 0 85 401.47 7 ↓

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

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