UCSF

ZINC04529399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 24 Yes

CAS Numbers: 5893-05-0 , [5893-05-0]

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) 3.27 10.72 -29.4 2 3 0 56 317.388 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 170-174? dec. Alfa-Aesar
Melting_Point 170-174° dec. Alfa-Aesar
MP 172-174°C Indofine
Purity 95% Fluorochem

Activity (Go SEA)

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