UCSF

ZINC03588957

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) -0.33 0.91 -11.66 1 4 0 55 143.142 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 133-135?/1mm Alfa-Aesar
Melting_Point 21-23? lit. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
Boiling_Point 90?/0.3mm Alfa-Aesar
BP 90°/0.3mm Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000042979A1; WO2000043356A1; WO2000043368A1 IBM Patent Data

Activity (Go SEA)

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