UCSF

ZINC20596516

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 9 Yes

Popular Name: 7-Oxa-2-azaspiro[3.5]nonane 7-Oxa-2-azaspiro[3.5]nonane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100927-02-4 , 1417633-09-0 , 194157-10-3 , 793658-98-7 , [1417633-09-0] , [194157-10-3]

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) 0.42 1.3 -41.71 2 2 1 26 128.195 0 ↓
Hi High (pH 8-9.5) 2.85 5.6 -11.09 2 6 0 91 377.444 7 ↓

Vendor Notes

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

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

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