UCSF

ZINC00299726

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 18 Yes

Popular Name: (3,4-Dimethoxy-benzyl)-(tetrahydro-furan-2-yl-methyl)-amine (3,4-Dimethoxy-benzyl)-(tetrahyd…

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CAS Number: 346704-26-5

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) 1.52 -0.99 -44.6 2 4 1 44 252.334 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5028256 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.