UCSF

ZINC02573311

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 18 Yes

Popular Name: 2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine 2-(4-methoxyphenyl)-N-(pyridin-2…

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CAS Numbers: 1046803-53-5 , 355382-90-0

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) 2.19 -0.63 -44.02 2 3 1 38 243.33 6 ↓
Lo Low (pH 4.5-6) 2.19 -0.57 -115.25 3 3 2 39 244.338 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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