UCSF

ZINC02166826

Substance Information

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

CAS Numbers: 33228-44-3 , [33228-44-3]

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) 3.38 6.15 -2.26 2 1 0 26 163.264 4

Vendor Notes

Note Type Comments Provided By
Boiling_Point 130? Alfa-Aesar
Boiling_Point 130° Alfa-Aesar
BP 265 TCI
PUBCHEM_PATENT_ID US5610294; US5811422; US6127381; WO1993007128A1; WO1999055679A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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