UCSF

ZINC00403380

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) 1.05 0.98 -4.05 1 2 0 29 130.187 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 195? Alfa-Aesar
Boiling_Point 195° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0752984B1; EP0847989A1; US5750382; US5777103; US5817806 IBM Patent Data

Activity (Go SEA)

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