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

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-methyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(8-qu…

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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) 0.20 4.97 -44.05 3 4 1 61 242.302 1 ↓
Hi High (pH 8-9.5) 0.20 4.39 -8.3 2 4 0 59 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-methyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(8-qu…

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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) 0.20 4.09 -48.85 3 4 1 61 242.302 1 ↓
Hi High (pH 8-9.5) 0.20 3.44 -9.26 2 4 0 59 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-methyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(8-qu…

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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) 0.20 4.38 -49.03 3 4 1 61 242.302 1 ↓
Hi High (pH 8-9.5) 0.20 4.09 -9.45 2 4 0 59 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-methyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(8-qu…

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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) 0.20 3.88 -45.21 3 4 1 61 242.302 1 ↓
Hi High (pH 8-9.5) 0.20 3.6 -9.28 2 4 0 59 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(8-qui…

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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) 0.57 5.95 -43.9 3 4 1 61 256.329 2 ↓
Hi High (pH 8-9.5) 0.57 5.37 -8.13 2 4 0 59 255.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(8-qui…

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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) 0.57 4.95 -48.91 3 4 1 61 256.329 2 ↓
Hi High (pH 8-9.5) 0.57 4.44 -9.11 2 4 0 59 255.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(8-qui…

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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) 0.57 5.36 -48.85 3 4 1 61 256.329 2 ↓
Hi High (pH 8-9.5) 0.57 5.07 -9.3 2 4 0 59 255.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(8-qui…

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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) 0.57 4.9 -45.71 3 4 1 61 256.329 2 ↓
Hi High (pH 8-9.5) 0.57 4.64 -9.15 2 4 0 59 255.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-propyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-propyl-5-(8-qu…

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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) 1.08 6.71 -44.01 3 4 1 61 270.356 3 ↓
Hi High (pH 8-9.5) 1.08 6.12 -7.94 2 4 0 59 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-propyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-propyl-5-(8-qu…

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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) 1.08 5.71 -49.01 3 4 1 61 270.356 3 ↓
Hi High (pH 8-9.5) 1.08 5.2 -9.03 2 4 0 59 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-propyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-propyl-5-(8-qu…

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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) 1.08 6.12 -49.17 3 4 1 61 270.356 3 ↓
Hi High (pH 8-9.5) 1.08 5.83 -9.16 2 4 0 59 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-propyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-propyl-5-(8-qu…

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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) 1.08 5.66 -45.73 3 4 1 61 270.356 3 ↓
Hi High (pH 8-9.5) 1.08 5.4 -9.05 2 4 0 59 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(8…

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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) 0.87 6.26 -43.34 3 4 1 61 270.356 2 ↓
Hi High (pH 8-9.5) 0.87 5.68 -7.61 2 4 0 59 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(8…

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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) 0.87 5.23 -48.95 3 4 1 61 270.356 2 ↓
Hi High (pH 8-9.5) 0.87 5.33 -8.2 2 4 0 59 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(8…

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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) 0.87 5.68 -48.65 3 4 1 61 270.356 2 ↓
Hi High (pH 8-9.5) 0.87 5.39 -8.81 2 4 0 59 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(8…

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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) 0.87 6.06 -43.97 3 4 1 61 270.356 2 ↓
Hi High (pH 8-9.5) 0.87 5.12 -8.65 2 4 0 59 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-tert-butyl-5-(…

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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) 1.38 6.44 -42.64 3 4 1 61 284.383 2 ↓
Hi High (pH 8-9.5) 1.38 5.8 -7.15 2 4 0 59 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-tert-butyl-5-(…

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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) 1.38 5.81 -48.2 3 4 1 61 284.383 2 ↓
Hi High (pH 8-9.5) 1.38 4.81 -8.66 2 4 0 59 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-tert-butyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-tert-butyl-5-(…

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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) 1.38 5.86 -47.89 3 4 1 61 284.383 2 ↓
Hi High (pH 8-9.5) 1.38 5.56 -8.3 2 4 0 59 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-tert-butyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-tert-butyl-5-(…

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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) 1.38 6.23 -43.31 3 4 1 61 284.383 2 ↓
Hi High (pH 8-9.5) 1.38 5.19 -8.51 2 4 0 59 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isobutyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isobutyl-5-(8-…

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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) 1.32 7.26 -43.45 3 4 1 61 284.383 3 ↓
Hi High (pH 8-9.5) 1.32 6.68 -7.41 2 4 0 59 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isobutyl-5-(8-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isobutyl-5-(8-…

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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) 1.32 6.37 -49.14 3 4 1 61 284.383 3 ↓
Hi High (pH 8-9.5) 1.32 5.87 -8.74 2 4 0 59 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isobutyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isobutyl-5-(8-…

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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) 1.32 6.67 -49.08 3 4 1 61 284.383 3 ↓
Hi High (pH 8-9.5) 1.32 6.38 -8.57 2 4 0 59 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isobutyl-5-(8-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isobutyl-5-(8-…

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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) 1.32 6.33 -45.71 3 4 1 61 284.383 3 ↓
Hi High (pH 8-9.5) 1.32 6.05 -8.72 2 4 0 59 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-(2-methoxyethyl)-5-(8-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-(2-methoxyethy…

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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) 0.18 5.11 -42.06 3 5 1 70 286.355 4 ↓
Hi High (pH 8-9.5) 0.18 4.53 -8.64 2 5 0 68 285.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-(2-methoxyethyl)-5-(8-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-(2-methoxyethy…

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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) 0.18 4.02 -50.36 3 5 1 70 286.355 4 ↓
Hi High (pH 8-9.5) 0.18 3.52 -11.04 2 5 0 68 285.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-(2-methoxyethyl)-5-(8-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-(2-methoxyethy…

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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) 0.18 4.52 -45.84 3 5 1 70 286.355 4 ↓
Hi High (pH 8-9.5) 0.18 4.23 -9.72 2 5 0 68 285.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-(2-methoxyethyl)-5-(8-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-(2-methoxyethy…

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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) 0.18 3.98 -47.48 3 5 1 70 286.355 4 ↓
Hi High (pH 8-9.5) 0.18 3.72 -11.06 2 5 0 68 285.347 4 ↓

Parameters Provided:

ring.id = 531252
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 = 531252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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