Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 34 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) 8.96 19.82 -8.65 0 3 0 36 472.754 14

Vendor Notes

Note Type Comments Provided By
Melting_Point 28? Alfa-Aesar
Melting_Point 28° Alfa-Aesar
Boiling_Point >300? Alfa-Aesar
Boiling_Point >300° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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