UCSF

ZINC19594538

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) -1.21 1.78 -46.74 5 6 1 106 269.368 9
Mid Mid (pH 6-8) -1.21 1.45 -8.96 4 6 0 105 268.36 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6048852 IBM Patent Data

Activity (Go SEA)

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

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