UCSF

ZINC04290769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 10 No

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) 2.45 -0.32 -8.1 1 2 0 37 201.019 1

Vendor Notes

Note Type Comments Provided By
melting_point 50 - 51 KeyOrganics
Melting_Point 50-54? Alfa-Aesar
MP 50-54° Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.