UCSF

ZINC05442063

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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) 0.68 -0.09 -4.81 1 2 0 33 73.095 0

Vendor Notes

Note Type Comments Provided By
BP 133 TCI
Boiling_Point 133-135? Alfa-Aesar
Boiling_Point 133-135° Alfa-Aesar
BP [°C] 135 Acros Organics
Mp [°C] 58 - 62 Acros Organics
MP 60 - 63 Enamine Building Blocks
Melting_Point 60-63? Alfa-Aesar
Melting_Point 60-63° Alfa-Aesar
MP 60...63 Enamine Building Blocks
MP 62 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Patent Database Links EP0989125; WO2006009789; WO2006070276; WO2006119417 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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