UCSF

ZINC08028739

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 14 Yes

Popular Name: (5-methyl-1-benzofuran-3-yl)acetic acid (5-methyl-1-benzofuran-3-yl)acet…

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CAS Number: N/A

Other Names:

MFCD06255193

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) 2.04 1.89 -51.07 0 3 -1 53 189.19 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999067237A1 IBM Patent Data

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