UCSF

ZINC34546780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 2.84 5.77 -35.83 0 2 -1 40 235.991 1

Vendor Notes

Note Type Comments Provided By
mp 177 - 178 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 181-185? Alfa-Aesar
MP 184-185° Oakwood Chemical
Purity 95% Fluorochem

Activity (Go SEA)

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