UCSF

ZINC04736877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 25 No

Popular Name: 4-[1-[2-(1H-imidazol-4-yl)ethylamino]ethylidene]-2-phenyl-5-propyl-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) 2.59 9.71 -59.45 3 6 1 77 338.435 7 ↓
Mid Mid (pH 6-8) 3.29 -1.47 -39.52 2 6 1 75 338.435 7 ↓
Mid Mid (pH 6-8) 2.59 9.22 -22.26 2 6 0 76 337.427 7 ↓
Mid Mid (pH 6-8) 2.59 9.24 -19.89 2 6 0 76 337.427 7 ↓
Mid Mid (pH 6-8) 2.59 8.97 -21.41 2 6 0 76 337.427 7 ↓
Mid Mid (pH 6-8) 2.59 8.98 -20.04 2 6 0 76 337.427 7 ↓

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

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