UCSF

ZINC09424776

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Substance Information

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

Popular Name: 1-benzyl-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-5H- 1-benzyl-4-(2,5-dioxabicyclo[4.4…

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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) 3.32 10.02 -61.32 0 7 -1 88 456.474 6 ↓
Mid Mid (pH 6-8) 2.73 -0.32 -19.93 0 7 0 82 457.482 6 ↓
Mid Mid (pH 6-8) 3.76 -0.53 -27.31 1 7 0 85 457.482 5 ↓

Activity (Go SEA)

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