UCSF

ZINC36992119

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 Yes

Popular Name: 4-[[[(1R)-1-(5-chloro-2-thienyl)ethyl]amino]methyl]benzonitrile 4-[[[(1R)-1-(5-chloro-2-thienyl)…

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Annotations

Vendors

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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) 3.91 8.92 -54.17 2 2 1 40 277.8 4 ↓
Mid Mid (pH 6-8) 3.91 7.72 -7.02 1 2 0 36 276.792 4 ↓

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