UCSF

ZINC17046237

Annotations

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) 0.92 2.46 -10.69 2 4 0 65 172.209 3

Vendor Notes

Note Type Comments Provided By
melting_point 158 - 160 KeyOrganics
Melting_Point 158-160? Alfa-Aesar
MP 158-160° Matrix Scientific
MP 159 - 161 Enamine Building Blocks
MP 159 - 163 Enamine Building Blocks
MP 159-163° Oakwood Chemical
MP 159...161 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.