UCSF

ZINC01690277

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 7 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) 3.20 4.66 -0.87 0 0 0 0 153.033 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 41? Alfa-Aesar
Melting_Point 41° Alfa-Aesar
Boiling_Point 160-162? Alfa-Aesar
Boiling_Point 160-162° Alfa-Aesar
BP 162 TCI
BP 162° Matrix Scientific
Purity 98% Matrix Scientific
Warnings FLAMMABLE Matrix Scientific

Activity (Go SEA)

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

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