UCSF

ZINC19808029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-5-(2-fluorophenyl)-4-(furan-2-carbonyl)-3-hydroxy-5H-pyrrol-2-one (5R)-1-(2-dimethylaminoethyl)-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) 1.78 8.3 -72.34 1 6 0 78 358.369 6 ↓
Hi High (pH 8-9.5) 1.78 5.77 -57.91 0 6 -1 77 357.361 6 ↓
Lo Low (pH 4.5-6) 1.78 7.47 -50.17 2 6 1 75 359.377 6 ↓

Activity (Go SEA)

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