UCSF

ZINC09464724

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

Popular Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-(4-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 1-benzyl-4-(2,3-dihydro-1,4-benz…

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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) 4.22 10.89 -62.26 0 7 -1 88 484.528 8 ↓
Mid Mid (pH 6-8) 4.67 -0.51 -28.71 1 7 0 85 485.536 7 ↓

Activity (Go SEA)

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