UCSF

ZINC03884295

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) 2.06 0.44 -6.24 0 2 0 17 197.035 0
Mid Mid (pH 6-8) 2.06 0.69 -29.29 1 2 1 19 198.043 0

Vendor Notes

Note Type Comments Provided By
MP 76-81° Oakwood Chemical
Melting_Point 78-80? Alfa-Aesar
Melting_Point 78-80° Alfa-Aesar
melting_point 81 - 83 KeyOrganics
MP 81-83° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% 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.