UCSF

ZINC06499011

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 34 No

Popular Name: methyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate methyl 4-[3-(2,3-dihydro-1,4-ben…

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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) 2.31 8.06 -62.33 0 9 -1 114 466.466 9 ↓
Lo Low (pH 4.5-6) 2.31 7.3 -20.01 1 9 0 112 467.474 9 ↓

Activity (Go SEA)

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