UCSF

ZINC51943488

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 12 Yes

Popular Name: endo-7-aza-bicyclo[2.2.1]heptane-2,7-dicarboxylicacid7-tert-butylester2-ethylesterhydrochloride endo-7-aza-bicyclo[2.2.1]heptane…

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CAS Numbers: 1251009-93-4 , 1461706-04-6

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) 2.11 4.28 -33.32 2 3 1 43 170.232 3 ↓
Hi High (pH 8-9.5) 2.11 3.06 -4.69 1 3 0 38 169.224 3 ↓

Vendor Notes

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

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

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