UCSF

ZINC05225829

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) 4.83 -0.99 -61.25 2 6 -1 94 425.464 7

Vendor Notes

Note Type Comments Provided By
MP 182-185 °C(lit.) Indofine
Melting_Point 182-185? Alfa-Aesar
Melting_Point 182-185° Alfa-Aesar
MP 184 TCI
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0360390A1; EP0759772A1; EP1021435A1; US5166136; US5589460; US5767083; US5847150; US6093797; US6136984; WO1996015148A2; WO1997040025A1; WO1997040030A1; WO1997040034A1; WO1998037078A1; WO1999022758A1; WO2000002898A1 IBM Patent Data

Activity (Go SEA)

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