UCSF

ZINC01651856

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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) 2.33 1.68 -48.47 0 2 -1 40 163.196 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 146.5? Alfa-Aesar
Boiling_Point 146.5° Alfa-Aesar
MP 190 - 192 Enamine Building Blocks
MP 190...192 Enamine Building Blocks
MP 76-79° Oakwood Chemical
mp 79 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 80-82? Alfa-Aesar
Melting_Point 80-82° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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