UCSF

ZINC23917772

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 10 Yes

Popular Name: 3-azabicyclo[3.1.1]heptane-6-carboxylic acid 3-azabicyclo[3.1.1]heptane-6-car…

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CAS Numbers: 1240525-76-1 , 1240562-06-4

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) 0.10 3.59 -67.46 2 3 0 57 141.17 1 ↓

Vendor Notes

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

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Rings

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

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