UCSF

ZINC21948292

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) 5.16 11.1 -40.46 2 2 1 20 343.494 4
Hi High (pH 8-9.5) 5.16 9.75 -2.47 1 2 0 15 342.486 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 128-129? Alfa-Aesar
Melting_Point 128-129° Alfa-Aesar
Purity 98% Fluorochem
PUBCHEM_PATENT_ID WO2000076984A2 IBM Patent Data

Activity (Go SEA)

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