UCSF

ZINC00968253

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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) 3.22 1.27 -9.32 0 1 0 17 180.206 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 342 Acros Organics
Boiling_Point 342? Alfa-Aesar
Boiling_Point 342° Alfa-Aesar
Mp [°C] 81 - 85 Acros Organics
MP 82 - 83 Enamine Building Blocks
Melting_Point 82-85? Alfa-Aesar
Melting_Point 82-85° Alfa-Aesar
MP 82...83 Enamine Building Blocks
MP 84 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Patent Database Links EP0992240; EP1202120; EP1293837; EP1623970; US2003022891; US2005214807; US2006178412; US2006229303; US2006264634; US2007203220; US2008261963; WO2005077899; WO2006078317 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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