UCSF

ZINC01577187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 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) 4.09 8.21 -45.16 0 2 -1 40 197.298 6
Lo Low (pH 4.5-6) 4.09 7.09 -6.51 1 2 0 37 198.306 6

Vendor Notes

Note Type Comments Provided By
Boiling_Point 157-160?/0.3mm Alfa-Aesar
Boiling_Point 157-160°/0.3mm Alfa-Aesar
Melting_Point 17-19? Alfa-Aesar
Melting_Point 17-19° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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