UCSF

ZINC17044543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 32 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-methoxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-3-methy…

Find On: PubMed — Wikipedia — Google

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) 4.19 10.31 -61.95 0 6 -1 79 436.528 10 ↓
Lo Low (pH 4.5-6) 4.19 9.49 -16.25 1 6 0 76 437.536 10 ↓

Activity (Go SEA)

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