UCSF

ZINC01760823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

CAS Numbers: 1077-16-3 , 4292-75-5

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) 4.81 9.05 -1.49 0 0 0 0 162.276 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 61? Alfa-Aesar
BP 226 TCI
Boiling_Point 226-227? Alfa-Aesar
Boiling_Point 226-227° Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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