UCSF

ZINC05925506

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 13 No

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) 3.75 2.68 -5.66 0 3 0 45 179.219 3

Vendor Notes

Note Type Comments Provided By
BP 144 / 12 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5290806 IBM Patent Data

Activity (Go SEA)

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