UCSF

ZINC00226674

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 Yes

Popular Name: N-(2-Methoxybenzyl)-1-(pyridin-3-yl)methanamine N-(2-Methoxybenzyl)-1-(pyridin-3…

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CAS Numbers: 1609407-50-2 , 353779-38-1 , [353779-38-1]

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) 1.67 5.87 -41.35 2 3 1 39 229.303 5 ↓
Lo Low (pH 4.5-6) 1.67 6.15 -101.78 3 3 2 40 230.311 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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