UCSF

ZINC03734866

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 10 Yes

Popular Name: 2-isopropylazepane oxalate 2-isopropylazepane oxalate

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CAS Numbers: 1177294-16-4 , 1346600-87-0 , 383129-08-6

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) 2.62 0.02 -32.36 2 1 1 16 142.266 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 164 - 166 Enamine Building Blocks
MP 164...166 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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