UCSF

ZINC12359519

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 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) 2.64 -1.18 -3.73 1 1 0 20 187.036 0

Vendor Notes

Note Type Comments Provided By
MP 53-56° Oakwood Chemical
Melting_Point 54-57? Alfa-Aesar
Melting_Point 54-57° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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