UCSF

ZINC05226959

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) -2.03 -9.28 -8.76 4 6 0 99 194.183 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 105-108? Alfa-Aesar
Melting_Point 105-108° Alfa-Aesar
PUBCHEM_PATENT_ID US4898868; US6143443; WO1996035239A1 IBM Patent Data

Activity (Go SEA)

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

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