UCSF

ZINC00404326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 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) 3.64 5.85 -6.82 0 1 0 13 177.634 0

Vendor Notes

Note Type Comments Provided By
BP 296 TCI
Boiling_Point 296? Alfa-Aesar
Boiling_Point 296° Alfa-Aesar
Melting_Point 54-56? Alfa-Aesar
Melting_Point 54-56° Alfa-Aesar
MP 55 - 57 Enamine Building Blocks
MP 55...57 Enamine Building Blocks
MP 58 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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