UCSF

ZINC07212834

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 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) 1.89 0.47 -9.59 2 3 0 60 226.084 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 218-221? Alfa-Aesar
Melting_Point 218-221° Alfa-Aesar
Purity 97% Matrix Scientific
MP >200° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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