UCSF

ZINC09453212

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 No

Popular Name: 5-[3-(allyloxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-4-(2,3-di…

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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) 2.82 7.85 -62.05 0 8 -1 97 464.494 10 ↓
Mid Mid (pH 6-8) 3.26 6.79 -28.45 1 8 0 95 465.502 9 ↓
Mid Mid (pH 6-8) 1.77 6.28 -49.75 2 6 1 69 342.419 4 ↓

Activity (Go SEA)

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