UCSF

ZINC60119422

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 23 No

Popular Name: 2-[1-(allyloxyamino)propylidene]-5-[(1R,6R)-4,7-dioxabicyclo[4.1.0]heptan-1-yl]cyclohexane-1,3-dione 2-[1-(allyloxyamino)propylidene]…

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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) 1.26 5.06 -8.39 1 6 0 77 321.373 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0964866A1; US6107254; WO1998030565A1 IBM Patent Data

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Rings

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

No pre-computed analogs available. Try a structural similarity search.