UCSF

ZINC19365397

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.43 6.55 -171.01 3 4 3 17 233.424 9
Hi High (pH 8-9.5) 0.43 4.01 -84.85 2 4 2 15 232.416 9
Hi High (pH 8-9.5) 0.43 1.48 -34.63 1 4 1 14 231.408 9

Vendor Notes

Note Type Comments Provided By
Boiling_Point 70-71?/0.5mm Alfa-Aesar
Boiling_Point 70-71°/0.5mm Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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