UCSF

ZINC19882174

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 No

Popular Name: (5S)-5-(4-bromophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5S)-5-(4-bromophenyl)-1-(2-diet…

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) 2.68 9.7 -64.61 1 6 0 78 458.356 8 ↓
Hi High (pH 8-9.5) 2.68 7.51 -53.22 0 6 -1 77 457.348 8 ↓
Lo Low (pH 4.5-6) 2.68 8.87 -49.05 2 6 1 75 459.364 8 ↓

Activity (Go SEA)

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