UCSF

ZINC40443108

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 12 Yes

Popular Name: (1S,2S,4R)-Ethyl 7-azabicyclo[2.2.1]heptane-2-carboxylate hydrochloride (1S,2S,4R)-Ethyl 7-azabicyclo[2.…

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CAS Numbers: 1217814-87-3 , 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 4.21 -41.41 2 3 1 43 170.232 3 ↓
Hi High (pH 8-9.5) 2.11 2.99 -4.43 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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Rings

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

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