UCSF

ZINC43505161

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 Yes

Other Names:

MFCD11553848

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) 3.70 7.52 -2.88 0 1 0 9 176.259 5

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0513387A1; EP0934937A1; US5643932; US5677319; US6080764 IBM Patent Data
PUBCHEM_PATENT_ID EP0637580A1; US5637736; US6063940 IBM Patent Data

Activity (Go SEA)

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