UCSF

ZINC18121804

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 37 Yes

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

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Other Names:

MFCD00307036

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) 4.86 11.78 -13.33 0 8 0 84 496.567 7 ↓
Ref Reference (pH 7) 4.86 11.82 -14.16 0 8 0 84 496.567 7 ↓
Ref Reference (pH 7) 4.01 10.1 -16.63 2 8 0 94 496.567 7 ↓
Mid Mid (pH 6-8) 4.47 9.89 -144.47 0 8 -2 100 494.551 7 ↓
Mid Mid (pH 6-8) 4.01 10.03 -20.82 2 8 0 94 496.567 7 ↓
Mid Mid (pH 6-8) 3.56 12.2 -27.72 2 8 0 94 496.567 7 ↓

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