UCSF

ZINC13389559

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 34 Yes

Popular Name: (4S)-4-[(3-hydroxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H (4S)-4-[(3-hydroxyphenyl)-[(4R)-…

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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) 3.89 10.04 -17.89 2 7 0 91 452.514 5 ↓
Ref Reference (pH 7) 3.89 10 -18.42 2 7 0 91 452.514 5 ↓
Ref Reference (pH 7) 3.89 9.89 -20.72 2 7 0 91 452.514 5 ↓
Ref Reference (pH 7) 3.89 9.94 -19.65 2 7 0 91 452.514 5 ↓
Mid Mid (pH 6-8) 4.34 8.33 -12.69 2 7 0 91 452.514 5 ↓
Mid Mid (pH 6-8) 4.34 8.38 -17.7 2 7 0 91 452.514 5 ↓
Mid Mid (pH 6-8) 4.34 8.21 -15.19 2 7 0 91 452.514 5 ↓
Mid Mid (pH 6-8) 4.34 8.4 -15.2 2 7 0 91 452.514 5 ↓

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