UCSF

ZINC13216269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 31 No

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

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) 2.38 9.42 -72.8 1 7 0 87 423.513 10 ↓
Mid Mid (pH 6-8) 1.79 10.55 -62.71 1 7 1 81 424.521 10 ↓
Mid Mid (pH 6-8) 2.38 9.89 -51.23 2 7 1 84 424.521 10 ↓
Lo Low (pH 4.5-6) 2.38 10.18 -99.12 3 7 2 85 425.529 10 ↓
Lo Low (pH 4.5-6) 1.79 10.83 -115.4 2 7 2 82 425.529 10 ↓

Activity (Go SEA)

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