UCSF

ZINC08996446

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 No

Popular Name: 3-hydroxy-1-[3-(4-morpholinyl)propyl]-4-(4-propoxybenzoyl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-1-[3-(4-morpholinyl)pr…

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) 2.22 7.08 -60.55 0 8 -1 95 464.542 10 ↓
Mid Mid (pH 6-8) 1.64 9.63 -51.17 1 8 1 90 466.558 10 ↓
Mid Mid (pH 6-8) 2.67 9.63 -53.44 2 8 1 93 466.558 9 ↓
Mid Mid (pH 6-8) 2.22 9.41 -80.41 1 8 0 96 465.55 10 ↓
Lo Low (pH 4.5-6) 1.64 9.91 -105.36 2 8 2 91 467.566 10 ↓
Lo Low (pH 4.5-6) 2.67 9.91 -103.98 3 8 2 95 467.566 9 ↓

Activity (Go SEA)

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