UCSF

ZINC18209674

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 33 No

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 4-(2,3-dihydro-1,4-benzodioxin-6…

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) 2.19 8.58 -78.83 1 8 0 93 452.507 8 ↓
Mid Mid (pH 6-8) 2.64 8.55 -49.02 2 8 1 90 453.515 7 ↓
Mid Mid (pH 6-8) 1.61 10.68 -48.22 1 8 1 87 453.515 8 ↓

Activity (Go SEA)

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