UCSF

ZINC00043843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 4.46 4.05 -5.69 2 2 0 40 336.231 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 158-162? Alfa-Aesar
Melting_Point 158-162° Alfa-Aesar
MP 161 TCI
MP 161-162° Matrix Scientific
MP 162° Fluorochem
Boiling_Point 400? Alfa-Aesar
Boiling_Point 400° Alfa-Aesar
Purity 95% Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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