UCSF

ZINC13003146

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 31 No

Popular Name: 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-pyridin-4-yl-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxy-3-methylbenzoyl)-3-h…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03110306

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) 2.94 8.16 -57.63 0 7 -1 92 423.489 10 ↓
Lo Low (pH 4.5-6) 2.94 7.34 -15.37 1 7 0 89 424.497 10 ↓

Activity (Go SEA)

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