UCSF

ZINC13426783

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 No

Popular Name: (5S)-5-(2,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-5-(2,4-dimethoxyphenyl)-4-(…

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) 2.46 5.72 -55.09 0 8 -1 91 469.489 8 ↓
Mid Mid (pH 6-8) 2.91 7 -57.52 2 8 1 90 471.505 7 ↓
Mid Mid (pH 6-8) 2.46 8.12 -68.34 1 8 0 93 470.497 8 ↓

Activity (Go SEA)

Rings

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