UCSF

ZINC18161829

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) 1.15 2.75 -8.78 3 4 0 68 162.196 0
Ref Reference (pH 7) 1.15 2.75 -14.44 3 4 0 68 162.196 0

Vendor Notes

Note Type Comments Provided By
melting_point 264 - 266 KeyOrganics
mp 280 MolMall (formerly Molecular Diversity Preservation International)
MP 280° Matrix Scientific
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.