UCSF

ZINC16607697

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 34 Yes

Popular Name: 4-[(4-chlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol 4-[(4-chlorophenyl)(5-hydroxy-3-…

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CAS Number: 143699-06-3

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) 6.19 13.25 -15.76 0 6 0 65 470.96 5 ↓
Ref Reference (pH 7) 6.19 13.19 -16.38 0 6 0 65 470.96 5 ↓
Ref Reference (pH 7) 6.19 13.35 -16.85 0 6 0 65 470.96 5 ↓
Ref Reference (pH 7) 4.87 11.4 -19.43 2 6 0 76 470.96 5 ↓
Mid Mid (pH 6-8) 4.42 13.69 -26.73 2 6 0 76 470.96 5 ↓
Mid Mid (pH 6-8) 5.33 11.22 -123.08 0 6 -2 82 468.944 5 ↓
Mid Mid (pH 6-8) 4.87 11.37 -23.2 2 6 0 76 470.96 5 ↓

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