UCSF

ZINC20219521

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 No

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-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) 2.35 9.34 -77.34 1 8 0 93 452.507 8 ↓
Hi High (pH 8-9.5) 2.35 6.8 -59.51 0 8 -1 91 451.499 8 ↓
Lo Low (pH 4.5-6) 2.35 8.52 -57.96 2 8 1 90 453.515 8 ↓

Activity (Go SEA)

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