UCSF

ZINC01689945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 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) 4.25 6.22 -2.21 1 1 0 20 196.334 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 153-155?/12mm Alfa-Aesar
Boiling_Point 153-155°/12mm Alfa-Aesar
Melting_Point 58-64? Alfa-Aesar
Melting_Point 58-64° Alfa-Aesar

Activity (Go SEA)

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