UCSF

ZINC00168464

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) 0.33 1.35 -13.78 3 4 0 68 134.142 0
Ref Reference (pH 7) 0.33 1.39 -8.53 3 4 0 68 134.142 0
Mid Mid (pH 6-8) -0.93 1.42 -35.92 2 4 -1 67 133.134 0

Vendor Notes

Note Type Comments Provided By
melting_point 189 - 192 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.