UCSF

ZINC20079022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) 3.22 6.46 -4.72 0 2 0 20 191.274 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0187322A1; EP0623598A1; US4760064; US5464833; US5691341 IBM Patent Data

Activity (Go SEA)

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