UCSF

ZINC01712445

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 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) 2.33 1.45 -6.37 0 1 0 17 146.189 2

Vendor Notes

Note Type Comments Provided By
mp 144.5 MolMall (formerly Molecular Diversity Preservation International)
BP 248 TCI
Boiling_Point 248? Alfa-Aesar
Boiling_Point 248° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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