UCSF

ZINC00164674

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 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) 0.75 3.42 -28.07 1 2 1 17 123.179 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-113? Alfa-Aesar
Melting_Point 110-113° Alfa-Aesar
MP 112-114° Fluorochem
Boiling_Point 162?/50mm Alfa-Aesar
Boiling_Point 162°/50mm Alfa-Aesar
Purity 99% Fluorochem

Activity (Go SEA)

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