UCSF

ZINC13507165

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) 7.44 12.77 -1.78 1 1 0 20 398.675 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0166542A2; EP0289636A1; EP0486290A3; EP0608600A1; EP1036556A2; US4748161; US5460949; US5480805; WO1999044442A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1998045457A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.