UCSF

ZINC19977244

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 Yes

Popular Name: 1-(azepan-1-yl)-2-(piperazin-1-yl)propan-1-one 1-(azepan-1-yl)-2-(piperazin-1-y…

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CAS Number: 90476-97-4

Other Names:

MFCD08444718

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) 0.73 3.71 -42.84 2 4 1 40 240.371 2 ↓
Mid Mid (pH 6-8) 0.73 4.49 -31.74 2 4 1 37 240.371 2 ↓
Lo Low (pH 4.5-6) 0.73 5.89 -112.58 3 4 2 41 241.379 2 ↓

Vendor Notes

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

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