UCSF

ZINC02149869

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 15 Yes

CAS Numbers: 26216-91-1 , 3558-24-5

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) 3.37 -0.38 -3.46 1 1 0 12 195.265 1

Vendor Notes

Note Type Comments Provided By
mp 49 MolMall (formerly Molecular Diversity Preservation International)
Purity 99.0% min (HPLC) APIChem

Activity (Go SEA)

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