UCSF

ZINC00054812

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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) 0.70 4 -46.77 0 4 -1 59 179.151 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 122-126? Alfa-Aesar
Melting_Point 122-126° Alfa-Aesar
Mp [°C] 125 - 128 Acros Organics
MP 126 TCI
MP 126-130° Oakwood Chemical
Purity 95% Fluorochem
MP 96-99° Oakwood Chemical
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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