UCSF

ZINC00076272

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 3.34 2.78 -6.55 0 2 0 33 209.248 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 173-175?/0.1mm Alfa-Aesar
Boiling_Point 173-175°/0.1mm Alfa-Aesar
MP 94 TCI
MP 95-97° Oakwood Chemical
Melting_Point 95-98? Alfa-Aesar
Melting_Point 95-98° Alfa-Aesar
MP 97-98° Matrix Scientific
Purity 98% Fluorochem
Purity 99% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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