UCSF

ZINC19883454

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one (5S)-1-(2-dimethylaminoethyl)-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) 2.69 10.03 -66.95 1 5 0 65 386.398 6 ↓
Lo Low (pH 4.5-6) 2.69 9.3 -48.76 2 5 1 62 387.406 6 ↓

Activity (Go SEA)

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