UCSF

ZINC04268409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 11 Yes

Other Names:

MFCD06201195

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) 2.79 2.18 -3.53 0 1 0 9 148.205 3

Vendor Notes

Note Type Comments Provided By
BP 57°/0.1mm Oakwood Chemical
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0319986B1; EP0374839A1; EP0459561A2; EP0459561B1; EP0513387A1; EP0670831A1; EP0934937A1; US4986846; US5053070; US5268378; US5643932; US5677319; US6080764; WO1995009159A1; WO1999040944A2 IBM Patent Data

Activity (Go SEA)

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