UCSF

ZINC04992749

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) -0.03 -0.98 -36.28 3 2 1 37 102.157 1
Hi High (pH 8-9.5) 4.08 15.58 -47.55 2 7 1 67 463.631 5

Vendor Notes

Note Type Comments Provided By
Boiling_Point 165-171? Alfa-Aesar
BP 165-171° Oakwood Chemical
Melting_Point 174-176? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
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.