UCSF

ZINC63729410

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 27 No

Popular Name: 2-[[3-[4-(diethylamino)phenyl]-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-propyl-amino]acetonitrile 2-[[3-[4-(diethylamino)phenyl]-4…

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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) 3.54 13.04 -14.33 0 6 0 53 386.569 10 ↓
Mid Mid (pH 6-8) 3.54 13.11 -34.59 1 6 0 54 387.577 10 ↓

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

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