UCSF

ZINC04521004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 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) 3.62 0.61 -2.65 1 1 0 12 189.302 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 123?/5mm Alfa-Aesar
Boiling_Point 123°/5mm Alfa-Aesar

Activity (Go SEA)

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