UCSF

ZINC09009162

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 35 No

Popular Name: 4-[hydroxy-(4-isobutoxyphenyl)-methylene]-1-(3-morpholinopropyl)-5-(4-pyridyl)pyrrolidine-2,3-dione 4-[hydroxy-(4-isobutoxyphenyl)-m…

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) 2.41 7.7 -57.28 0 8 -1 95 478.569 10 ↓
Mid Mid (pH 6-8) 1.83 10.31 -50.39 1 8 1 90 480.585 10 ↓
Mid Mid (pH 6-8) 2.41 9.95 -47.85 2 8 1 93 480.585 10 ↓
Mid Mid (pH 6-8) 2.41 10.03 -78.15 1 8 0 96 479.577 10 ↓
Lo Low (pH 4.5-6) 2.41 10.23 -96.5 3 8 2 95 481.593 10 ↓
Lo Low (pH 4.5-6) 1.83 10.59 -105.28 2 8 2 91 481.593 10 ↓

Activity (Go SEA)

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