UCSF

ZINC20219262

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-propoxyphenyl)-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) 2.85 10.19 -75.67 1 8 0 93 466.534 9 ↓
Hi High (pH 8-9.5) 2.85 7.66 -59.46 0 8 -1 91 465.526 9 ↓
Lo Low (pH 4.5-6) 2.85 9.37 -56.94 2 8 1 90 467.542 9 ↓

Activity (Go SEA)

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