UCSF

ZINC00105208

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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) 4.06 0.09 -7.4 0 2 0 26 221.259 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 360 Acros Organics
Boiling_Point 360? Alfa-Aesar
Boiling_Point 360° Alfa-Aesar
Mp [°C] 70 - 72 Acros Organics
Melting_Point 70-74? Alfa-Aesar
Melting_Point 70-74° Alfa-Aesar
MP 72 TCI
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0087639A2; US4522742; US4645618 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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