UCSF

ZINC00162137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 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) 3.12 1.78 -6.21 0 2 0 26 243.1 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 35-38? Alfa-Aesar
Melting_Point 35-38° Alfa-Aesar
BP 89-92°/0.9mm Oakwood Chemical
Purity 97% Fluorochem

Activity (Go SEA)

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