UCSF

ZINC09008572

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 35 No

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

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03293204

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) 3.84 7.66 -64.47 1 8 -1 108 482.553 12 ↓
Lo Low (pH 4.5-6) 3.84 6.84 -20.32 2 8 0 106 483.561 12 ↓

Activity (Go SEA)

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