UCSF

ZINC20219519

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 No

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

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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) 1.94 9.15 -79.29 1 9 0 102 482.533 9 ↓
Hi High (pH 8-9.5) 1.94 6.63 -60.5 0 9 -1 101 481.525 9 ↓
Lo Low (pH 4.5-6) 1.94 8.33 -61.19 2 9 1 99 483.541 9 ↓

Activity (Go SEA)

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