UCSF

ZINC13404296

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

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) 3.72 8.02 -21.47 3 7 0 96 452.514 5 ↓
Ref Reference (pH 7) 5.03 9.81 -18.5 1 7 0 86 452.514 5 ↓
Ref Reference (pH 7) 5.03 9.88 -17.99 1 7 0 86 452.514 5 ↓
Ref Reference (pH 7) 5.03 9.98 -18.18 1 7 0 86 452.514 5 ↓
Mid Mid (pH 6-8) 3.26 10.32 -29.56 3 7 0 96 452.514 5 ↓
Mid Mid (pH 6-8) 3.72 8 -25.26 3 7 0 96 452.514 5 ↓
Lo Low (pH 4.5-6) 4.17 7.25 -57.05 2 7 -1 99 451.506 5 ↓

Vendor Notes

Note Type Comments Provided By
mp 240 - 241 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Rings

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