UCSF

ZINC00152328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 8 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) 0.74 1.3 -28.09 3 2 1 40 129.57 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 153?/5mm Alfa-Aesar
Boiling_Point 153°/5mm Alfa-Aesar
Melting_Point 91-94? Alfa-Aesar
Melting_Point 91-94° Alfa-Aesar
MP 92° Fluorochem
Purity 98% Fluorochem
Purity 98+% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.