UCSF

ZINC00407112

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 2.75 2.72 -6.17 0 2 0 26 178.231 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 238-239? Alfa-Aesar
Boiling_Point 238-239° Alfa-Aesar
BP 76-78°/3mm Oakwood Chemical
BP 77 / 3 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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