UCSF

ZINC12021645

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 21 No

Popular Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-nitrophenyl)methanone 1,4-dioxa-8-azaspiro[4.5]decan-8…

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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) 1.14 -0.84 -10.16 0 7 0 85 292.291 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5883102 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.