UCSF

ZINC02036274

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 3.10 6.09 -47.36 0 2 -1 40 169.244 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 270-272? Alfa-Aesar
Boiling_Point 270-272° Alfa-Aesar
Melting_Point 40-44? Alfa-Aesar
Melting_Point 40-44° Alfa-Aesar

Activity (Go SEA)

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

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