UCSF

ZINC04775359

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 13 No

Popular Name: 4-azepan-1-yl-4-oxobutan-2-one 4-azepan-1-yl-4-oxobutan-2-one

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CAS Number: 78553-62-5

Other Names:

MFCD00085460

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) 0.89 6.8 -15.32 0 3 0 37 183.251 2 ↓

Vendor Notes

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

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