UCSF

ZINC20189830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 No

Popular Name: (5S)-5-(4-allyloxyphenyl)-1-(2-diethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5H-pyrrol-2-one (5S)-5-(4-allyloxyphenyl)-1-(2-d…

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) 4.03 11.73 -65.39 1 6 0 74 452.526 11 ↓
Hi High (pH 8-9.5) 4.03 9.53 -55.06 0 6 -1 73 451.518 11 ↓
Lo Low (pH 4.5-6) 4.03 10.91 -48.31 2 6 1 71 453.534 11 ↓

Activity (Go SEA)

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