UCSF

ZINC09424269

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 34 No

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(3-methoxypropyl)-5-(3-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) 3.05 8.93 -58.44 0 8 -1 97 466.51 10 ↓
Mid Mid (pH 6-8) 3.50 7.39 -27.34 1 8 0 95 467.518 9 ↓
Mid Mid (pH 6-8) 2.47 -1.06 -21.9 0 8 0 91 467.518 10 ↓

Activity (Go SEA)

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