UCSF

ZINC09424840

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 39 No

Popular Name: 1-benzyl-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-5-(3-ethoxy-4-propoxy-phenyl)-3-h 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) 4.19 12.61 -62.38 0 8 -1 97 528.581 10 ↓
Mid Mid (pH 6-8) 4.63 10.65 -28.59 1 8 0 95 529.589 9 ↓
Mid Mid (pH 6-8) 3.60 -0.31 -25.75 0 8 0 91 529.589 10 ↓

Activity (Go SEA)

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