UCSF

ZINC08214444

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) -0.54 -3.17 -28.45 2 4 1 43 369.529 3
Hi High (pH 8-9.5) -0.54 7.07 -19.93 1 4 0 47 368.521 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0077529A2; EP0182635A1; EP0737066A1; EP1021204A2; US4810697; US4847260; US5183665; US5401502; US5446070; US5656286; US5719197; US5876754; US5922746; US6024976; US6068854; US6103269; WO1995018603A1; WO1996040086A2; WO1998043612A1; WO1999015210A2; WO20000 IBM Patent Data

Activity (Go SEA)

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