UCSF

ZINC13130157

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 18 Yes

Popular Name: 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine 2-(4-methoxyphenyl)-N-(pyridin-3…

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CAS Number: 331970-95-7

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) 2.12 6.57 -50.02 2 3 1 39 243.33 6 ↓
Lo Low (pH 4.5-6) 2.12 6.85 -111.69 3 3 2 40 244.338 6 ↓

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