UCSF

ZINC00447040

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 Yes

Popular Name: (6-Methyl-benzofuran-3-yl)-acetic acid (6-Methyl-benzofuran-3-yl)-aceti…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 142917-39-3 , [142917-39-3]

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 6.86 -48.76 0 3 -1 53 189.19 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 106 - 108 Enamine Building Blocks
MP 106...108 Enamine Building Blocks
MP 140 - 142 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999067237A1 IBM Patent Data

Activity (Go SEA)

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