UCSF

ZINC36926864

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 Yes

Popular Name: 2-(1,4-diazepan-1-yl)-5-(trifluoromethyl)benzonitrile 2-(1,4-diazepan-1-yl)-5-(trifluo…

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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) 2.19 7.66 -49.1 2 3 1 44 270.278 2 ↓

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