UCSF

ZINC37337527

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 Yes

Popular Name: 8-benzyl-2,8-diazaspiro[4.5]decane-1,3-dione 8-benzyl-2,8-diazaspiro[4.5]deca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1463-48-5 , [1463-48-5]

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) 0.96 3.07 -52.65 1 4 0 57 258.321 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 189 KeyOrganics
MP 189° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999065494A1 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.