UCSF

ZINC19841326

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 Yes

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

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CAS Number: 113248-68-3

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) 2.74 6.34 -4.91 1 2 0 25 246.741 5 ↓
Lo Low (pH 4.5-6) 2.74 6.79 -36.58 2 2 1 26 247.749 5 ↓

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