UCSF

ZINC00391540

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 19 Yes

Popular Name: 2-(4-(Benzyloxy)-3-methoxyphenyl)ethanamine 2-(4-(Benzyloxy)-3-methoxyphenyl…

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CAS Numbers: 1860-57-7 , 22231-61-4

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) 2.16 -1.2 -52.4 3 3 1 46 258.341 6 ↓

Vendor Notes

Note Type Comments Provided By
mp 177 - 179 MolMall (formerly Molecular Diversity Preservation International)

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