UCSF

ZINC03871613

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) -3.54 -2.62 -372.47 4 18 -4 290 503.15 8
Mid Mid (pH 6-8) -3.54 -3.78 -234.92 5 18 -3 288 504.158 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998039013A1; WO1998046206A1 IBM Patent Data

Activity (Go SEA)

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