UCSF

ZINC00119486

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) -0.24 7.86 -42.89 1 4 1 45 209.269 3
Mid Mid (pH 6-8) -0.24 7.34 -12.25 0 4 0 44 208.261 3

Vendor Notes

Note Type Comments Provided By
MP 171 TCI
PUBCHEM_PATENT_ID EP0643710A1; US5322942 IBM Patent Data
Patent Database Links EP1754491; US2004054213; US2004254182; US2005239863; US2005256117; US2006020000; US2006167081; US2006258726; US2007249731; US2008214545; US2008234309; US2008292585; WO2005002520; WO2005026128; WO2006020003; WO2006044232; WO2008130332 ChEBI

Activity (Go SEA)

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