UCSF

ZINC01680440

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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) 3.84 8.41 -7.36 0 1 0 17 196.249 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 326 Acros Organics
Boiling_Point 326? Alfa-Aesar
Boiling_Point 326° Alfa-Aesar
BP 328 TCI
mp 50 MolMall (formerly Molecular Diversity Preservation International)
MP 51 - 53 Enamine Building Blocks
MP 51...53 Enamine Building Blocks
Mp [°C] 53 - 57 Acros Organics
Melting_Point 53-57? Alfa-Aesar
Melting_Point 53-57° Alfa-Aesar
MP 55 - 57 Enamine Building Blocks
MP 56 TCI
MP 56-57° Oakwood Chemical
M.P 56.5-57 °C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity >=99% APIChem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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