UCSF

ZINC12503280

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) 2.13 6.12 -116.33 2 8 -2 142 300.226 4

Vendor Notes

Note Type Comments Provided By
Therapy antiinflammatory SMDC Pharmakon
PUBCHEM_PATENT_ID EP0322392A1; EP0393104A1; EP0393104B1; EP0553169B1; EP0554291A1; EP0610178B1; EP0873050A1; EP1003501A1; EP1054998A1; US5476667; US5505966; US5519014; US5604231; US5668134; US5795909; US6040147; US6159983; US6166048; WO1989005452A1; WO1992000732A1; WO19920 IBM Patent Data

Activity (Go SEA)

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