UCSF

ZINC02170164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 12 No

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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) 1.73 3.62 -6.55 0 2 0 22 164.204 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 130?/0.1mm Alfa-Aesar
Boiling_Point 130°/0.1mm Alfa-Aesar
BP 70-73°/11mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0431891A1; US5115074 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )