UCSF

ZINC08433264

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 35 No

Popular Name: 4-[4-(allyloxy)-2-methylbenzoyl]-5-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)-2-methylbenzoyl]…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03461851

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) 5.19 3.02 -45.31 2 6 1 71 477.625 10 ↓
Mid Mid (pH 6-8) 5.64 2.61 -57.63 2 6 1 71 477.625 9 ↓
Mid Mid (pH 6-8) 4.61 2.85 -54.48 1 6 1 68 477.625 10 ↓

Activity (Go SEA)

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