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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[3-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)propyl-ethyl-amino]methyl]-3-fluoro-benzonitrile 4-[[3-(4,4-dimethyl-2,5-dioxo-im…

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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) 1.91 8.31 -48.66 2 6 1 78 347.414 7 ↓
Mid Mid (pH 6-8) 1.91 6.16 -12.6 1 6 0 76 346.406 7 ↓

Analogs

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Popular Name: 3-[3-[(3,4-difluorophenyl)methyl-methyl-amino]propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[3-[(3,4-difluorophenyl)methyl…

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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) 1.94 7.24 -50.47 2 5 1 54 326.367 6 ↓

Analogs

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Popular Name: 3-[[3-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)propyl-methyl-amino]methyl]benzonitrile 3-[[3-(4,4-dimethyl-2,5-dioxo-im…

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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) 1.42 7.52 -50.37 2 6 1 78 315.397 6 ↓
Hi High (pH 8-9.5) 1.42 5.18 -12.12 1 6 0 76 314.389 6 ↓

Analogs

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Popular Name: 4-[[3-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)propyl-methyl-amino]methyl]benzonitrile 4-[[3-(4,4-dimethyl-2,5-dioxo-im…

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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) 1.44 7.53 -51.79 2 6 1 78 315.397 6 ↓
Mid Mid (pH 6-8) 1.44 5.18 -11.49 1 6 0 76 314.389 6 ↓

Analogs

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Popular Name: 3-[3-[(4-fluorophenyl)methyl-pentyl-amino]propyl]imidazolidine-2,4-dione 3-[3-[(4-fluorophenyl)methyl-pen…

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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) 2.98 8.82 -46.98 2 5 1 54 336.431 10 ↓
Hi High (pH 8-9.5) 2.98 6.7 -10.77 1 5 0 53 335.423 10 ↓

Analogs

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Popular Name: 4-[(1S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl-ethyl-amino]ethyl]benzonitrile 4-[(1S)-1-[3-(2,5-dioxoimidazoli…

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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) 1.56 7.07 -48.65 2 6 1 78 315.397 7 ↓
Hi High (pH 8-9.5) 1.56 5.12 -12.43 1 6 0 76 314.389 7 ↓

Analogs

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Popular Name: 4-[(1R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl-ethyl-amino]ethyl]benzonitrile 4-[(1R)-1-[3-(2,5-dioxoimidazoli…

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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) 1.56 7.15 -48.14 2 6 1 78 315.397 7 ↓
Hi High (pH 8-9.5) 1.56 5.09 -12.44 1 6 0 76 314.389 7 ↓

Analogs

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Popular Name: 3-[3-[(3,4-dichlorophenyl)methyl-isopropyl-amino]propyl]imidazolidine-2,4-dione 3-[3-[(3,4-dichlorophenyl)methyl…

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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) 2.83 7.39 -46.62 2 5 1 54 359.277 7 ↓
Hi High (pH 8-9.5) 2.83 5.64 -10.6 1 5 0 53 358.269 7 ↓

Analogs

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Popular Name: 3-[3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methyl-amino]propyl]imidazolidine-2,4-dio 3-[3-[[3,5-dimethyl-4-(2,2,2-tri…

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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) 2.61 7.86 -48.14 2 6 1 63 388.41 9 ↓
Hi High (pH 8-9.5) 2.61 5.53 -12.28 1 6 0 62 387.402 9 ↓

Analogs

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Popular Name: 3-[3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propyl]imidazolidine-2,4-dione 3-[3-[[(1S)-1-(3-fluorophenyl)et…

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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) 1.33 4.64 -48.49 3 5 1 66 280.323 6 ↓
Hi High (pH 8-9.5) 1.33 3.53 -10.6 2 5 0 61 279.315 6 ↓

Analogs

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Popular Name: 3-[3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]imidazolidine-2,4-dione 3-[3-[[(1R)-1-(3-fluorophenyl)et…

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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) 1.33 4.64 -48.69 3 5 1 66 280.323 6 ↓
Hi High (pH 8-9.5) 1.33 3.54 -11.44 2 5 0 61 279.315 6 ↓

Analogs

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Popular Name: 3-[3-[[1-(2-chloro-4-fluoro-phenyl)-1-methyl-ethyl]amino]propyl]imidazolidine-2,4-dione 3-[3-[[1-(2-chloro-4-fluoro-phen…

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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) 2.40 5.29 -47.16 3 5 1 66 328.795 6 ↓
Hi High (pH 8-9.5) 2.40 4.17 -10.23 2 5 0 61 327.787 6 ↓

Analogs

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Popular Name: 3-[3-[[1-methyl-1-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]imidazolidine-2,4-dione 3-[3-[[1-methyl-1-[3-(trifluorom…

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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) 2.51 6.02 -48.41 3 5 1 66 344.357 7 ↓
Hi High (pH 8-9.5) 2.51 4.92 -10.83 2 5 0 61 343.349 7 ↓

Analogs

53113793
53113793

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Popular Name: 5,5-dimethyl-3-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[3-[methyl-[[4-(t…

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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) 2.58 8.14 -47.68 2 5 1 54 358.384 7 ↓
Hi High (pH 8-9.5) 2.58 5.8 -9.47 1 5 0 53 357.376 7 ↓

Analogs

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Popular Name: 5,5-dimethyl-3-[3-[methyl(o-tolylmethyl)amino]propyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[3-[methyl(o-toly…

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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) 2.09 7.76 -40.12 2 5 1 54 304.414 6 ↓

Analogs

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Popular Name: 3-[3-[(3-fluorophenyl)methyl-methyl-amino]propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[3-[(3-fluorophenyl)methyl-met…

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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) 1.82 7.19 -44.28 2 5 1 54 308.377 6 ↓
Hi High (pH 8-9.5) 1.82 4.88 -9.57 1 5 0 53 307.369 6 ↓

Analogs

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Popular Name: 3-[3-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[3-[(2-chloro-6-fluoro-phenyl)…

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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) 2.43 7.38 -35.03 2 5 1 54 342.822 6 ↓
Hi High (pH 8-9.5) 2.43 5.05 -9.85 1 5 0 53 341.814 6 ↓

Parameters Provided:

ring.id = 24868
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 24868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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