UCSF

ZINC20149951

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 34 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-5-…

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) 3.90 11.71 -78.83 1 7 0 83 466.578 12 ↓
Lo Low (pH 4.5-6) 3.90 10.89 -55.21 2 7 1 81 467.586 12 ↓

Activity (Go SEA)

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