UCSF

ZINC04257961

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) -1.00 -2.24 -7.55 2 8 0 109 138.094 1
Ref Reference (pH 7) -1.00 -2.1 -6.33 2 8 0 109 138.094 1
Lo Low (pH 4.5-6) -1.00 -2.4 -36.54 1 8 -1 107 137.086 1
Lo Low (pH 4.5-6) -1.00 -2.25 -30.18 1 8 -1 107 137.086 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4728608 IBM Patent Data

Activity (Go SEA)

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

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