UCSF

ZINC09425259

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 36 No

Popular Name: 5-(3,4-diethoxyphenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-(3-meth 5-(3,4-diethoxyphenyl)-4-(2,5-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) 2.54 8.63 -61.93 0 9 -1 107 496.536 11 ↓
Mid Mid (pH 6-8) 1.96 8.03 -26.15 0 9 0 101 497.544 11 ↓
Mid Mid (pH 6-8) 2.99 7.01 -31.43 1 9 0 104 497.544 10 ↓

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