UCSF

ZINC49949608

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 20 Yes

Popular Name: (2S)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile (2S)-2-(azepan-1-yl)-2-(3,4-dime…

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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) 2.77 6.5 -7.72 0 4 0 45 274.364 4 ↓

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