UCSF

ZINC02585854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 20 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) 2.01 -0.33 -48.6 1 5 -1 78 298.746 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 179-180? dec. Alfa-Aesar
Melting_Point 179-180° dec. Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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