UCSF

ZINC17861433

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 36 No

Popular Name: 4-[(R)-[5-hydroxy-3-methyl-1-(p-tolyl)pyrazol-4-yl]-(3-hydroxyphenyl)methyl]-5-methyl-2-(p-tolyl)-1H 4-[(R)-[5-hydroxy-3-methyl-1-(p-…

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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) 4.13 11.61 -27.8 3 7 0 96 480.568 5 ↓
Hi High (pH 8-9.5) 5.24 10.44 -57.6 1 7 -1 94 479.56 5 ↓
Hi High (pH 8-9.5) 5.24 10.37 -47.54 1 7 -1 94 479.56 5 ↓
Hi High (pH 8-9.5) 5.05 9.12 -128.42 1 7 -2 102 478.552 5 ↓
Mid Mid (pH 6-8) 4.59 9.35 -22.7 3 7 0 96 480.568 5 ↓
Mid Mid (pH 6-8) 5.24 9.73 -16.31 2 7 0 91 480.568 5 ↓
Mid Mid (pH 6-8) 5.24 9.65 -13.58 2 7 0 91 480.568 5 ↓
Mid Mid (pH 6-8) 5.24 9.67 -15.43 2 7 0 91 480.568 5 ↓
Mid Mid (pH 6-8) 5.24 9.95 -18.14 2 7 0 91 480.568 5 ↓

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