UCSF

ZINC01609583

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) 3.16 7.73 -29.73 1 1 1 4 168.304 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 231-234? Alfa-Aesar
Boiling_Point 231-234° Alfa-Aesar
PUBCHEM_PATENT_ID US5607944 IBM Patent Data

Activity (Go SEA)

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