UCSF

ZINC04097591

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) 1.52 -1.25 -16.89 2 8 0 98 414.506 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0475160B1; US4735651; US5229354; US5229355; US5231070; US5256628; US5283228; US5451513; US5877402; US6160204; US6165500; WO1993015599A1; WO2000047608A1 IBM Patent Data

Activity (Go SEA)

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