UCSF

ZINC00052575

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: 1-(3-fluoro-4-piperazin-1-ylphenyl)ethanone 1-(3-fluoro-4-piperazin-1-ylphen…

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CAS Number: 189763-57-3

Other Names:

MFCD01571616

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) 1.33 3.72 -45.11 2 3 1 37 223.271 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 104 - 106 Enamine Building Blocks
MP 104...106 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0858453A1; WO1997014690A1 IBM Patent Data

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