UCSF

ZINC16944690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 36 No

Popular Name: 5-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 5-(2,4-dimethoxyphenyl)-3-hydrox…

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) 2.73 5.86 -60.12 0 9 -1 101 495.552 9 ↓
Mid Mid (pH 6-8) 2.15 8.62 -50.13 1 9 1 96 497.568 9 ↓
Mid Mid (pH 6-8) 2.73 8.2 -74.13 1 9 0 102 496.56 9 ↓
Lo Low (pH 4.5-6) 2.73 7.39 -55.48 2 9 1 99 497.568 9 ↓

Activity (Go SEA)

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