UCSF

ZINC09008362

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 No

Popular Name: 5-(2,4-dimethoxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 5-(2,4-dimethoxyphenyl)-4-(hydro…

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) 2.58 7.9 -60.52 0 7 -1 92 429.452 7 ↓
Mid Mid (pH 6-8) 2.00 -0.07 -13.03 0 7 0 85 430.46 7 ↓
Lo Low (pH 4.5-6) 3.03 0.24 -41.09 2 7 1 90 431.468 6 ↓
Lo Low (pH 4.5-6) 2.00 0.04 -42.87 1 7 1 87 431.468 7 ↓
Lo Low (pH 4.5-6) 2.58 7.07 -15.1 1 7 0 89 430.46 7 ↓

Activity (Go SEA)

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