UCSF

ZINC01559667

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Vendors

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) 0.90 3.04 -35.08 2 1 1 17 100.185 0
Hi High (pH 8-9.5) -0.21 2.78 -95.29 7 9 2 139 392.467 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 24? Alfa-Aesar
Melting_Point 24° Alfa-Aesar
Boiling_Point 124-125? Alfa-Aesar
Boiling_Point 124-125° Alfa-Aesar
BP 126 TCI
Purity 95% Fluorochem
Purity >98% Fluorochem
Warnings Flammable/Corrosive Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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