UCSF

ZINC09223171

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 No

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

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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) 2.93 9.67 -56.95 0 8 -1 105 462.507 5 ↓
Mid Mid (pH 6-8) 3.38 8.6 -26.4 1 8 0 102 463.515 4 ↓
Mid Mid (pH 6-8) 2.35 -0.4 -19.45 0 8 0 98 463.515 5 ↓

Activity (Go SEA)

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