UCSF

ZINC11000980

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2007 27 Yes

Popular Name: 4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]carbonyl]benzonitrile 4-[[4-(p-tolylsulfonyl)-1,4-diaz…

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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) 2.18 -1.89 -16.95 0 6 0 81 383.473 3 ↓

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