UCSF

ZINC08441572

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 36 No

Popular Name: 5-(4-butoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(2-furylmethyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 5-(4-butoxyphenyl)-4-(2,3-dihydr…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD04088564

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) 4.04 11.08 -57.71 0 8 -1 101 488.516 9 ↓
Mid Mid (pH 6-8) 4.48 -0.17 -28.23 1 8 0 98 489.524 8 ↓
Mid Mid (pH 6-8) 3.45 0.12 -24.81 0 8 0 95 489.524 9 ↓

Activity (Go SEA)

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