UCSF

ZINC09459497

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 No

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

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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) 2.55 8.4 -57.27 0 8 -1 97 450.467 9 ↓
Mid Mid (pH 6-8) 2.99 6.07 -29.51 1 8 0 95 451.475 8 ↓
Mid Mid (pH 6-8) 1.96 7.06 -25.32 0 8 0 91 451.475 9 ↓

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