UCSF

ZINC00403412

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 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) 3.02 1.47 -3.46 0 1 0 9 156.612 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 3? Alfa-Aesar
Melting_Point Alfa-Aesar
BP 207 TCI
Boiling_Point 212-215? Alfa-Aesar
Boiling_Point 212-215° Alfa-Aesar
BP 213-217° Matrix Scientific
Purity 95% Fluorochem
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.