UCSF

ZINC05483707

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 30 No

Popular Name: 4-benzoyl-5-(3-fluorophenyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-5-(3-fluorophenyl)-3-h…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD02229746

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.84 0.45 -52 2 6 1 71 411.453 5 ↓
Mid Mid (pH 6-8) 2.84 0.09 -56.78 2 6 1 71 411.453 5 ↓
Mid Mid (pH 6-8) 1.81 0.12 -68.92 1 6 1 68 411.453 6 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.