UCSF

ZINC03951239

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 29 Yes

Popular Name: benzofuran-5-yl-methyl-BLAHdione benzofuran-5-yl-methyl-BLAHdione

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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) 2.86 -2.47 -11.96 2 6 0 78 385.423 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5981527; US6046199 IBM Patent Data

Activity (Go SEA)

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