UCSF

ZINC43208802

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 14 Yes

Popular Name: 3-(3,4-Dimethoxyphenyl)-2-methyl-1-propene 3-(3,4-Dimethoxyphenyl)-2-methyl…

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CAS Numbers: 155583-45-2 , [155583-45-2]

Other Names:

MFCD07775001

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) 2.96 6.35 -5.91 0 2 0 18 192.258 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0537269A1; EP0537269B1; EP0831812A2; US5622970; US5654332; US6037370; US6124328 IBM Patent Data

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