UCSF

ZINC19872022

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 Yes

Popular Name: 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethan-1-amine 1-[5-fluoro-2-(4-methylpiperazin…

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CAS Number: 1019628-04-6

Other Names:

MFCD11137054

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) -0.11 5.11 -98.56 4 3 2 35 239.338 2 ↓
Mid Mid (pH 6-8) -0.11 2.65 -46.31 3 3 1 34 238.33 2 ↓

Vendor Notes

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

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