UCSF

ZINC21948290

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 10.13 -43.3 2 2 1 20 343.494 4
Hi High (pH 8-9.5) 5.16 8.8 -3.33 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% )