UCSF

ZINC00081089

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) 1.30 5.61 -9.72 0 2 0 20 161.204 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 12-15? Alfa-Aesar
Melting_Point 12-15° Alfa-Aesar
Boiling_Point 123?/0.2mm Alfa-Aesar
BP 123°/0.2mm Matrix Scientific
Boiling_Point 290-292? Alfa-Aesar
Boiling_Point 290-292° Alfa-Aesar
Melting_Point 63-68? Alfa-Aesar
Melting_Point 63-68° Alfa-Aesar
MP 64 - 66 Enamine Building Blocks
MP 64...66 Enamine Building Blocks
MP 67-69° Matrix Scientific
MP 68 TCI
MP 68-69° Oakwood Chemical
MP 88 - 90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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