UCSF

ZINC13127640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 33 No

Popular Name: 4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-(3,4-dimethoxybenzoyl)-3-hydro…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03501517

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) 0.66 3.9 -62.79 0 9 -1 104 452.487 8 ↓
Mid Mid (pH 6-8) 0.08 6.98 -64.92 1 9 1 99 454.503 8 ↓
Mid Mid (pH 6-8) 0.66 6.25 -73.94 1 9 0 105 453.495 8 ↓
Lo Low (pH 4.5-6) 0.08 7.27 -134.35 2 9 2 101 455.511 8 ↓

Activity (Go SEA)

Rings

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