UCSF

ZINC12403025

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 11 Yes

Popular Name: 9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one 9-methyl-3-oxa-9-azabicyclo[3.3.…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7224-81-9 , 91425-36-4

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) -0.26 0.74 -6.94 0 3 0 30 155.197 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5968947; WO1998025924A1 IBM Patent Data

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Rings

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