UCSF

ZINC09463617

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 No

Popular Name: 4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-5-(3-ethoxy-4-isopentyloxy-phenyl)-3-hydro 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) 3.55 9.84 -65.21 0 9 -1 107 524.59 12 ↓
Mid Mid (pH 6-8) 3.99 8.85 -31.42 1 9 0 104 525.598 11 ↓
Mid Mid (pH 6-8) 2.96 9.85 -25.07 0 9 0 101 525.598 12 ↓

Activity (Go SEA)

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