UCSF

ZINC00404246

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) 2.72 -0.41 -3.43 1 1 0 20 182.65 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 140?/2mm Alfa-Aesar
BP 140° Oakwood Chemical
Boiling_Point 140°/2mm Alfa-Aesar

Activity (Go SEA)

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