UCSF

ZINC72194284

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 8 Yes

Popular Name: 1-Oxa-6-azaspiro[3.4]octane 1-Oxa-6-azaspiro[3.4]octane

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CAS Numbers: 130906-06-8 , 1408074-51-0 , N/A , [130906-06-8]

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) 0.40 0.89 -37.66 2 2 1 26 114.168 0 ↓
Hi High (pH 8-9.5) 0.40 -0.55 -4.15 1 2 0 21 113.16 0 ↓

Vendor Notes

Note Type Comments Provided By
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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

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