UCSF

ZINC98262381

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2015 0 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) 1.42 4.07 -12.37 3 2 0 38 166.249 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 182-186? Alfa-Aesar
Melting_Point 182-186° Alfa-Aesar
MP 188 - 190 Enamine Building Blocks
MP 188...190 Enamine Building Blocks
melting_point 190 - 192 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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

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