UCSF

ZINC04265910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.93 5.22 -37.31 1 1 1 4 224.168 5

Vendor Notes

Note Type Comments Provided By
Boiling_Point 56-57?/58mm Alfa-Aesar
Boiling_Point 56-57°/58mm Alfa-Aesar
_Notes Active fluorinating agent see: Ishikawa, Bull. Chem.Soc. Jpn., 1979, 52, 3377 Apollo Scientific

Activity (Go SEA)

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