UCSF

ZINC04825881

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 9 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) 1.84 3.06 -3.94 0 2 0 26 130.187 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 126-128? Alfa-Aesar
Boiling_Point 126-128° Alfa-Aesar

Activity (Go SEA)

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