UCSF

ZINC67425218

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 11 Yes

Popular Name: 1-oxa-3,7-diazaspiro[4.5]decan-2-one 1-oxa-3,7-diazaspiro[4.5]decan-2…

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CAS Numbers: 1308384-36-2 , 1609395-61-0

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 -0.79 -49.71 3 4 1 55 157.193 0 ↓
Hi High (pH 8-9.5) -0.30 -2.19 -11.82 2 4 0 50 156.185 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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