UCSF

ZINC02575483

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) 3.67 1.6 -46.34 0 2 -1 40 205.277 7

Vendor Notes

Note Type Comments Provided By
Boiling_Point 147-150?/0.4mm Alfa-Aesar
Boiling_Point 147-150°/0.4mm Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Fluorochem
Melting_Point ca 20? Alfa-Aesar
Melting_Point ca 20° Alfa-Aesar

Activity (Go SEA)

Rings

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