UCSF

ZINC17720436

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1-(3-methoxypropyl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isopropoxy-3-meth…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03724184

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) 2.57 7.56 -64.27 0 7 -1 92 423.489 9 ↓
Mid Mid (pH 6-8) 2.57 7.56 -14 1 7 0 89 424.497 9 ↓
Mid Mid (pH 6-8) 1.99 7.92 -14.3 0 7 0 86 424.497 9 ↓
Lo Low (pH 4.5-6) 2.57 7.85 -37.71 2 7 1 90 425.505 9 ↓
Lo Low (pH 4.5-6) 1.99 8.22 -44.3 1 7 1 87 425.505 9 ↓

Activity (Go SEA)

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