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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxylic acid 1-(1,3-benzodioxol-5-yl)-5-oxopy…

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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 3.86 -42.51 0 6 -1 79 248.214 2 ↓

Analogs

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Popular Name: 1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxylic acid 1-(1,3-benzodioxol-5-yl)-5-oxopy…

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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 3.86 -42.34 0 6 -1 79 248.214 2 ↓

Analogs

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Popular Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-(2-dimethylamino-2-oxo-ethyl)-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(1,3-benzodioxol-5-yl)-N-…

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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) -0.69 2.93 -18.29 1 8 0 88 333.344 4 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzodioxol-5-yl)-N-(2-dimethylamino-2-oxo-ethyl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(1,3-benzodioxol-5-yl)-N-…

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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) -0.69 2.84 -21.56 1 8 0 88 333.344 4 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2-dimethylpropyl]-N-ethyl-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 2.47 8.12 -14.22 0 6 0 59 346.427 5 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzodioxol-5-yl)-N-[(1R)-1,2-dimethylpropyl]-N-ethyl-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 2.47 7.58 -14.8 0 6 0 59 346.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2-dimethylpropyl]-N-ethyl-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 2.47 8.16 -19.98 0 6 0 59 346.427 5 ↓

Analogs

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Popular Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-[(1R)-1,2-dimethylpropyl]-N-ethyl-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 2.47 7.84 -20.66 0 6 0 59 346.427 5 ↓

Analogs

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Popular Name: (4R)-1-(1,3-benzodioxol-5-yl)-4-hydroxy-pyrrolidin-2-one (4R)-1-(1,3-benzodioxol-5-yl)-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) 0.28 0.86 -10.34 1 5 0 59 221.212 1 ↓

Analogs

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Popular Name: (4S)-1-(1,3-benzodioxol-5-yl)-4-hydroxy-pyrrolidin-2-one (4S)-1-(1,3-benzodioxol-5-yl)-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) 0.28 0.86 -12.77 1 5 0 59 221.212 1 ↓

Analogs

41473596
41473596
41473598
41473598
41473600
41473600
70037406
70037406
70037407
70037407

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Popular Name: (3R)-1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1R)-1-methylbutyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 2.41 7.54 -15.19 0 6 0 59 332.4 5 ↓

Analogs

41473598
41473598
41473600
41473600
70037406
70037406
70037407
70037407
41473594
41473594

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1S)-1-methylbutyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 2.41 7.49 -14.52 0 6 0 59 332.4 5 ↓

Analogs

41473600
41473600
70037406
70037406
70037407
70037407
41473594
41473594
41473596
41473596

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1R)-1-methylbutyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(1,3-benzodioxol-5-yl)-N-…

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Activity (Go SEA)

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) 2.41 7.5 -19.64 0 6 0 59 332.4 5 ↓

Analogs

70037406
70037406
70037407
70037407
41473594
41473594
41473596
41473596
41473598
41473598

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1S)-1-methylbutyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-1-(1,3-benzodioxol-5-yl)-N-…

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Activity (Go SEA)

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) 2.41 7.49 -19.42 0 6 0 59 332.4 5 ↓

Parameters Provided:

ring.id = 30286
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 = 30286 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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