UCSF

ZINC09424162

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 37 No

Popular Name: 5-(3-benzyloxyphenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-(2-metho 5-(3-benzyloxyphenyl)-4-(2,5-dio…

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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) 3.50 10 -61.22 0 8 -1 97 500.527 9 ↓
Mid Mid (pH 6-8) 3.94 8.54 -30.39 1 8 0 95 501.535 8 ↓
Mid Mid (pH 6-8) 2.91 -1.26 -26.1 0 8 0 91 501.535 9 ↓
Mid Mid (pH 6-8) -0.32 3.78 -10.91 0 7 0 77 326.356 3 ↓

Activity (Go SEA)

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