UCSF

ZINC39848262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 No

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.91 6.27 -66.59 0 9 -1 101 481.525 9 ↓
Mid Mid (pH 6-8) 1.91 8.54 -75.34 1 9 0 102 482.533 9 ↓
Lo Low (pH 4.5-6) 1.91 7.79 -54.78 2 9 1 99 483.541 9 ↓

Activity (Go SEA)

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