UCSF

ZINC01555343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 8 No

CAS Number: 106-45-6

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) 2.62 5.78 -45.71 0 0 -1 0 123.2 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 195? Alfa-Aesar
Boiling_Point 195° Alfa-Aesar
Melting_Point 40-44? Alfa-Aesar
Melting_Point 40-44° Alfa-Aesar
MP 41-43° Fluorochem
Purity 98% Fluorochem
Purity 98+% Fluorochem

Activity (Go SEA)

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