UCSF

ZINC01687260

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) 5.82 11.25 -31.53 1 1 1 4 214.417 11

Vendor Notes

Note Type Comments Provided By
Melting_Point 20? Alfa-Aesar
Melting_Point 20° Alfa-Aesar
Boiling_Point 110-112?/3mm Alfa-Aesar
Boiling_Point 110-112°/3mm Alfa-Aesar
PUBCHEM_PATENT_ID US5496485 IBM Patent Data
PUBCHEM_PATENT_ID WO2000049998A1; WO2000053639A1 IBM Patent Data

Activity (Go SEA)

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