UCSF

ZINC71790850

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 16 Yes

Popular Name: tert-Butyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate tert-Butyl 7-oxo-2,6-diazaspiro[…

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CAS Numbers: 1234616-51-3 , [1234616-51-3]

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) 0.55 1.88 -14.89 1 5 0 59 226.276 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 163 - 165 Enamine Building Blocks
MP 163...165 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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