UCSF

ZINC00014087

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 11 Yes

Popular Name: 1-oxa-3,8-diazaspiro[4.5]decan-2-one 1-oxa-3,8-diazaspiro[4.5]decan-2…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5052-95-9 , 5052-96-0

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) -0.30 -4.41 -50.72 3 4 1 54 157.193 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5565429 IBM Patent Data

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