UCSF

ZINC03860833

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) 1.99 3.66 -7.2 2 4 0 72 172.571 1

Vendor Notes

Note Type Comments Provided By
MP 105-108° Oakwood Chemical
Melting_Point 106-109? Alfa-Aesar
Melting_Point 106-109° Alfa-Aesar
MP 107 - 109 Enamine Building Blocks
MP 107...109 Enamine Building Blocks
MP 108 TCI
Boiling_Point 320? dec. Alfa-Aesar
BP 320° Matrix Scientific
Boiling_Point 320° dec. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

Activity (Go SEA)

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