UCSF

ZINC17179834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 31 No

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

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD02991169

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) 2.87 7.29 -58.28 0 6 -1 73 423.464 6 ↓
Mid Mid (pH 6-8) 2.87 9.63 -70.33 1 6 0 74 424.472 6 ↓
Lo Low (pH 4.5-6) 2.87 8.8 -52.51 2 6 1 71 425.48 6 ↓

Activity (Go SEA)

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

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