UCSF

ZINC66323543

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 19 Yes

Popular Name: 9-Benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine dihydrochloride 9-Benzyl-1-oxa-9-azaspiro[5.5]un…

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CAS Numbers: , 1332531-13-1

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) 1.45 6.22 -94.53 4 3 2 41 262.397 2 ↓

Vendor Notes

Note Type Comments Provided By
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.