UCSF

ZINC00168331

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) 1.01 0.61 -5.63 1 2 0 33 143.573 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 112?/0.2mm Alfa-Aesar
MP 61 - 63 Enamine Building Blocks
Melting_Point 61-65? dec Alfa-Aesar
MP 61...63 Enamine Building Blocks
melting_point 62 - 64 KeyOrganics
MP 62-64° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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