UCSF

ZINC01389101

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) 0.98 1.56 -7.48 1 3 0 42 170.599 1

Vendor Notes

Note Type Comments Provided By
MP 38 - 40 Enamine Building Blocks
MP 38...40 Enamine Building Blocks
Melting_Point 39-43? Alfa-Aesar
Melting_Point 39-43° Alfa-Aesar
melting_point 40 - 44 KeyOrganics
MP 40-44° Matrix Scientific
MP 42-44° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific

Activity (Go SEA)

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

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