UCSF

ZINC20264766

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 33 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-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) 4.26 11.93 -65.12 1 6 0 74 454.542 11 ↓
Hi High (pH 8-9.5) 4.26 9.74 -54.86 0 6 -1 73 453.534 11 ↓
Lo Low (pH 4.5-6) 4.26 11.12 -47.93 2 6 1 71 455.55 11 ↓

Activity (Go SEA)

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