UCSF

ZINC20264121

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 Yes

Popular Name: 1-phenyl-2-(piperazin-1-yl)ethan-1-ol 1-phenyl-2-(piperazin-1-yl)ethan…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1226495-49-3 , 1760-19-6 , 685138-21-0

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) 0.45 1.49 -43.81 3 3 1 40 207.297 3 ↓
Lo Low (pH 4.5-6) 0.45 3.91 -122.56 4 3 2 41 208.305 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 195 - 197 Enamine Building Blocks
MP 195...197 Enamine Building Blocks
MP 67 - 69 Enamine Building Blocks
MP 67...69 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US6111056; US6147183 IBM Patent Data

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