UCSF

ZINC01758367

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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) 2.62 -3.5 -4.65 2 2 0 40 174.284 9

Vendor Notes

Note Type Comments Provided By
BP [°C] 297 Acros Organics
Boiling_Point 297? Alfa-Aesar
Boiling_Point 297° Alfa-Aesar
Mp [°C] 71 - 75 Acros Organics
Melting_Point 71-74? Alfa-Aesar
Melting_Point 71-74° Alfa-Aesar
MP 73 TCI
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US5395992 IBM Patent Data

Activity (Go SEA)

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