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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4R)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2R)-2-(1,3-benzodioxol-…

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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) 2.17 6.12 -45.72 2 5 1 55 291.371 5 ↓
Hi High (pH 8-9.5) 2.17 5.39 -9.28 1 5 0 51 290.363 5 ↓

Analogs

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Popular Name: (4R)-1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2S)-2-(1,3-benzodioxol-…

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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) 2.17 6.64 -49.5 2 5 1 55 291.371 5 ↓
Hi High (pH 8-9.5) 2.17 5.65 -11.77 1 5 0 51 290.363 5 ↓

Analogs

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Popular Name: (4S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2R)-2-(1,3-benzodioxol-…

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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) 2.17 6.13 -45.94 2 5 1 55 291.371 5 ↓
Hi High (pH 8-9.5) 2.17 5.39 -9.27 1 5 0 51 290.363 5 ↓

Analogs

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Popular Name: (4S)-1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2S)-2-(1,3-benzodioxol-…

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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) 2.17 6.6 -49.29 2 5 1 55 291.371 5 ↓
Hi High (pH 8-9.5) 2.17 5.53 -11.78 1 5 0 51 290.363 5 ↓

Analogs

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Popular Name: (4R)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2R)-2-(1,3-benzodioxol-…

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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) 1.80 5.29 -47.8 2 5 1 55 277.344 4 ↓
Hi High (pH 8-9.5) 1.80 4.35 -9.62 1 5 0 51 276.336 4 ↓

Analogs

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Popular Name: (4S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2R)-2-(1,3-benzodioxol-…

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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) 1.80 5.29 -48.01 2 5 1 55 277.344 4 ↓
Hi High (pH 8-9.5) 1.80 4.35 -9.59 1 5 0 51 276.336 4 ↓

Analogs

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Popular Name: (4R)-1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2S)-2-(1,3-benzodioxol-…

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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) 1.80 5.84 -52.09 2 5 1 55 277.344 4 ↓
Hi High (pH 8-9.5) 1.80 4.55 -9.89 1 5 0 51 276.336 4 ↓

Analogs

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Popular Name: (4S)-1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2S)-2-(1,3-benzodioxol-…

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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) 1.80 5.77 -51.81 2 5 1 55 277.344 4 ↓
Hi High (pH 8-9.5) 1.80 4.54 -9.96 1 5 0 51 276.336 4 ↓

Analogs

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Popular Name: (4R)-1-[(2R)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2R)-2-amino-2-(1,3-benz…

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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) -0.45 3.93 -45.16 3 5 1 66 263.317 3 ↓
Hi High (pH 8-9.5) -0.45 3.54 -9.37 2 5 0 65 262.309 3 ↓

Analogs

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Popular Name: (4S)-1-[(2R)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2R)-2-amino-2-(1,3-benz…

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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) -0.45 3.95 -45.07 3 5 1 66 263.317 3 ↓
Hi High (pH 8-9.5) -0.45 3.54 -9.34 2 5 0 65 262.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2S)-2-amino-2-(1,3-benz…

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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) -0.45 4.03 -58.78 3 5 1 66 263.317 3 ↓
Hi High (pH 8-9.5) -0.45 3.7 -12.77 2 5 0 65 262.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2S)-2-amino-2-(1,3-benz…

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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) -0.45 4.02 -58.36 3 5 1 66 263.317 3 ↓
Hi High (pH 8-9.5) -0.45 3.68 -12.84 2 5 0 65 262.309 3 ↓

Analogs

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Popular Name: (4R)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2R)-2-(1,3-benzodioxol-…

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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) 1.25 3.22 -10.65 1 5 0 59 263.293 3 ↓

Analogs

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Popular Name: (4S)-1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2R)-2-(1,3-benzodioxol-…

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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) 1.25 3.24 -10.71 1 5 0 59 263.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(2S)-2-(1,3-benzodioxol-…

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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) 1.25 3.2 -14.17 1 5 0 59 263.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(2S)-2-(1,3-benzodioxol-…

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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) 1.25 3.14 -14.22 1 5 0 59 263.293 3 ↓

Parameters Provided:

ring.id = 176142
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 = 176142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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