UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxo-2-(1-piperidyl)ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-ox…

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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) 1.95 7.05 -22.38 0 7 0 62 331.372 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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) 2.28 7.67 -22.12 0 7 0 62 345.399 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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) 2.28 7.64 -21.3 0 7 0 62 345.399 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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 7.64 -22.87 0 7 0 62 345.399 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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 7.64 -23.54 0 7 0 62 345.399 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-(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) 2.19 7.65 -23.49 0 7 0 62 345.399 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R)-2-ethyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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) 2.81 8.25 -22.28 0 7 0 62 359.426 4 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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) 2.81 8.27 -21.42 0 7 0 62 359.426 4 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-(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) 0.06 3.7 -23.54 1 8 0 83 347.371 3 ↓

Analogs

34969627
34969627
34969628
34969628
34969629
34969629
34969630
34969630

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Popular Name: ethyl ethyl

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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) 2.05 8.59 -25.95 0 9 0 89 403.435 6 ↓

Analogs

34969627
34969627
34969628
34969628
34969629
34969629
34969630
34969630

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Popular Name: ethyl ethyl

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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) 2.05 8.59 -25.42 0 9 0 89 403.435 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.05 8.61 -24.94 0 9 0 89 403.435 6 ↓

Analogs

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Popular Name: methyl 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) 1.67 7.68 -25.1 0 9 0 89 389.408 5 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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) 2.66 8.23 -23.15 0 7 0 62 359.426 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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) 2.66 8.47 -23.48 0 7 0 62 359.426 3 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]imidazolidin-2-one 1-(1,3-benzodioxol-5-yl)-3-[2-[(…

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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) 2.66 8.47 -22.97 0 7 0 62 359.426 3 ↓

Analogs

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Popular Name: 1-[2-[3-(1,3-benzodioxol-5-yl)-2-oxo-imidazolidin-1-yl]acetyl]piperidine-4-carboxamide 1-[2-[3-(1,3-benzodioxol-5-yl)-2…

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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) 0.54 3.71 -30.37 2 9 0 105 374.397 4 ↓

Parameters Provided:

ring.id = 559822
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 = 559822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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