UCSF

ZINC02130720

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) -1.72 -9.87 -48.53 4 10 -1 157 283.22 2
Lo Low (pH 4.5-6) -2.18 -7.83 -16.71 5 10 0 153 284.228 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0196530A2; EP0365556A1; EP0365556B1; EP0475443A2; EP0475443B1; EP0570519A1; EP0570519B1; EP0629705B1; EP0661291A1; EP0673783A2; EP0673783A3; EP0673783B1; EP0743573A3; EP0743573B1; EP0743574A3; EP0743574B1; EP0771204A1; US5514505; US5563014; US5659348; U IBM Patent Data

Activity (Go SEA)

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