UCSF

ZINC22010892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 10 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) 2.13 4.81 -5.17 0 2 0 26 151.19 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 68-70?/0.22mm Alfa-Aesar
Boiling_Point 68-70°/0.22mm Alfa-Aesar

Activity (Go SEA)

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

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