UCSF

ZINC20286054

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 Yes

Popular Name: ethyl (3S)-2-azabicyclo[2.2.2]octane-3-carboxylate ethyl (3S)-2-azabicyclo[2.2.2]oc…

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CAS Number: 161787-72-0

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) 1.49 4.94 -36.31 2 3 1 43 184.259 3 ↓
Mid Mid (pH 6-8) 1.49 3.85 -6.61 1 3 0 38 183.251 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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