UCSF

ZINC21982937

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) -5.36 7.01 -184.48 2 14 -3 218 510.476 20
Mid Mid (pH 6-8) -5.36 6.56 -184.83 2 14 -3 222 510.476 20

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0731797A1; EP0731797B1; EP0743283A2; EP0755270A1; EP0759785A1; EP0760683A1; EP0760683B1; EP0822180B1; EP0825879A1; EP1054998A1; US5169944; US5463030; US5562894; US5595714; US5649537; US5733528; US5795909; US5914097; US6099824; WO1993003351A1; WO19930108 IBM Patent Data

Activity (Go SEA)

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