UCSF

ZINC34433462

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 15 Yes

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) -0.44 -0.86 -51.73 4 6 1 100 239.317 8
Mid Mid (pH 6-8) -0.44 -1.25 -9.92 3 6 0 98 238.309 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0664792A1; EP0664792B1; EP0667773A1; EP0673247A1; EP0698023A1; EP0698023B1; EP0714295A1; EP0714295B1; EP0781133A1; EP0863893A1; US5334596; US5397791; US5416099; US5494921; US5525617; US5559127; US5648368; US5721253; US5786373; US5789421; WO1994008577A1 IBM Patent Data

Activity (Go SEA)

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