UCSF

ZINC02555041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 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) 4.09 3.58 -6.89 2 4 0 59 251.326 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 137-141? Alfa-Aesar
Melting_Point 137-141° Alfa-Aesar
Melting_Point 141-144? Alfa-Aesar
Melting_Point 66-69? Alfa-Aesar
Melting_Point 66-69° Alfa-Aesar
MP 86 TCI
MP 94-96 °C(lit.) Indofine
Melting_Point 94-96? Alfa-Aesar
Melting_Point 94-96° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Melting_Point 95-98? Alfa-Aesar
Melting_Point 95-98° Alfa-Aesar
MP 96 TCI
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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