UCSF

ZINC13151849

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 37 Yes

Popular Name: 4-[(3,4-dimethoxyphenyl)-(3-methyl-5-oxo-1-phenyl-2H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyraz 4-[(3,4-dimethoxyphenyl)-(3-meth…

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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) 5.16 12.04 -18.04 0 8 0 84 496.567 7 ↓
Ref Reference (pH 7) 5.16 11.87 -18.19 0 8 0 84 496.567 7 ↓
Ref Reference (pH 7) 5.16 11.94 -18.97 0 8 0 84 496.567 7 ↓
Ref Reference (pH 7) 3.84 10.07 -22.49 2 8 0 94 496.567 7 ↓
Mid Mid (pH 6-8) 4.30 9.88 -143.15 0 8 -2 100 494.551 7 ↓
Mid Mid (pH 6-8) 3.84 10.05 -25.89 2 8 0 94 496.567 7 ↓
Mid Mid (pH 6-8) 3.38 12.37 -29.29 2 8 0 94 496.567 7 ↓

Activity (Go SEA)

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