UCSF

ZINC20286051

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 Yes

Popular Name: (S)-2-Azabicyclo[2.2.2]octane-3-carboxylic acid (S)-2-Azabicyclo[2.2.2]octane-3-…

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CAS Numbers: 109583-12-2 , [109583-12-2]

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) -0.96 3.04 -41.31 2 3 0 57 155.197 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 231 - 233 Enamine Building Blocks
MP 231...233 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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