UCSF

ZINC19885512

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 35 No

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

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03274524

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) 3.45 8.71 -57.86 0 7 -1 82 479.528 9 ↓
Mid Mid (pH 6-8) 3.45 11.05 -72.91 1 7 0 83 480.536 9 ↓

Activity (Go SEA)

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