UCSF

ZINC00204584

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) 2.20 7.78 -34.99 1 2 1 22 196.314 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 166 - 170 Acros Organics
PUBCHEM_PATENT_ID EP0911039A2; EP1021204A2; US5446070; US5656286; US5719197; US5980882; US6024976; WO1996040086A2; WO1999015210A2; WO2000048636A1 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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