UCSF

ZINC18152002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 35 No

Popular Name: (4R)-4-[(R)-(2,4-dichlorophenyl)-(5-hydroxy-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-5-methyl-2-phenyl (4R)-4-[(R)-(2,4-dichlorophenyl)…

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) 6.33 13.67 -12 0 6 0 65 505.405 5 ↓
Ref Reference (pH 7) 5.48 11.77 -15.87 2 6 0 76 505.405 5 ↓
Ref Reference (pH 7) 6.33 13.5 -11.83 0 6 0 65 505.405 5 ↓
Ref Reference (pH 7) 6.33 13.61 -12.48 0 6 0 65 505.405 5 ↓
Mid Mid (pH 6-8) 5.94 11.6 -118.9 0 6 -2 82 503.389 5 ↓
Mid Mid (pH 6-8) 5.02 13.75 -24.6 2 6 0 76 505.405 5 ↓
Mid Mid (pH 6-8) 6.13 11.96 -12.94 1 6 0 71 505.405 5 ↓
Mid Mid (pH 6-8) 6.13 12.13 -11.46 1 6 0 71 505.405 5 ↓
Mid Mid (pH 6-8) 6.13 12.12 -13.84 1 6 0 71 505.405 5 ↓

Activity (Go SEA)

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