UCSF

ZINC04736934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 31 No

Popular Name: 2-(4-fluorophenyl)-4-[1-[2-(1H-imidazol-4-yl)ethylamino]ethylidene]-5-(4-methoxyphenyl)-pyrazol-3-on 2-(4-fluorophenyl)-4-[1-[2-(1H-i…

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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) 3.18 10.05 -53.82 3 7 1 86 420.468 7 ↓
Mid Mid (pH 6-8) 3.18 9.56 -18.75 2 7 0 85 419.46 7 ↓
Mid Mid (pH 6-8) 3.66 -0.95 -38.28 2 7 1 84 420.468 7 ↓
Mid Mid (pH 6-8) 3.18 9.58 -17.22 2 7 0 85 419.46 7 ↓
Mid Mid (pH 6-8) 3.18 9.87 -16.11 2 7 0 85 419.46 7 ↓
Mid Mid (pH 6-8) 3.18 9.84 -18.09 2 7 0 85 419.46 7 ↓

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

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