Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 No

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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) -2.64 -10.26 -8.61 5 6 0 110 180.156 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 129 - 131 Acros Organics
Melting_Point 129-131? Alfa-Aesar
Melting_Point 129-131° Alfa-Aesar
Notes Heavy metals: <5ppb Apollo Scientific Bioactives
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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