UCSF

ZINC36533249

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 11 Yes

Popular Name: 1-Oxa-8-azaspiro[4.5]decan-2-one hydrochloride 1-Oxa-8-azaspiro[4.5]decan-2-one…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 167364-29-6 , 374794-92-0 , [374794-92-0]

Download: MOL2 SDF SMILES Flexibase

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) -1.21 3.49 -45.86 2 3 1 43 156.205 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5532255 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.