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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,5R)-4-amino-1-methyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(6-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) 0.22 3.89 -61.2 3 4 1 61 242.302 1 ↓
Hi High (pH 8-9.5) 0.22 3.61 -11.32 2 4 0 59 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-methyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(6-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) 0.22 3.65 -67.53 3 4 1 61 242.302 1 ↓
Hi High (pH 8-9.5) 0.22 3.36 -11.41 2 4 0 59 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-methyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-methyl-5-(6-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) 0.22 3.74 -65.33 3 4 1 61 242.302 1 ↓
Hi High (pH 8-9.5) 0.22 3.46 -13.04 2 4 0 59 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-methyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-methyl-5-(6-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) 0.22 3.9 -55.94 3 4 1 61 242.302 1 ↓
Hi High (pH 8-9.5) 0.22 3.64 -12.97 2 4 0 59 241.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-ethyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(6-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) 0.60 4.88 -61.38 3 4 1 61 256.329 2 ↓
Hi High (pH 8-9.5) 0.60 4.58 -11.22 2 4 0 59 255.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(6-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) 0.60 4.5 -66.47 3 4 1 61 256.329 2 ↓
Hi High (pH 8-9.5) 0.60 4.21 -11.25 2 4 0 59 255.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(6-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) 0.60 4.73 -65.39 3 4 1 61 256.329 2 ↓
Hi High (pH 8-9.5) 0.60 4.45 -13.06 2 4 0 59 255.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(6-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) 0.60 4.84 -56.04 3 4 1 61 256.329 2 ↓
Hi High (pH 8-9.5) 0.60 4.58 -12.7 2 4 0 59 255.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-propyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-propyl-5-(6-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) 1.10 5.64 -61.66 3 4 1 61 270.356 3 ↓
Hi High (pH 8-9.5) 1.10 5.35 -11.12 2 4 0 59 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-propyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-propyl-5-(6-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) 1.10 5.25 -66.75 3 4 1 61 270.356 3 ↓
Hi High (pH 8-9.5) 1.10 4.97 -11.17 2 4 0 59 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-propyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-propyl-5-(6-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) 1.10 5.49 -65.97 3 4 1 61 270.356 3 ↓
Hi High (pH 8-9.5) 1.10 5.21 -12.98 2 4 0 59 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-propyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-propyl-5-(6-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) 1.10 5.6 -56.23 3 4 1 61 270.356 3 ↓
Hi High (pH 8-9.5) 1.10 5.34 -12.62 2 4 0 59 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(6…

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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) 0.90 5.41 -61.08 3 4 1 61 270.356 2 ↓
Hi High (pH 8-9.5) 0.90 5.12 -10.7 2 4 0 59 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(6…

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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) 0.90 4.97 -66.95 3 4 1 61 270.356 2 ↓
Hi High (pH 8-9.5) 0.90 4.95 -10.79 2 4 0 59 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(6…

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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) 0.90 5.26 -65.67 3 4 1 61 270.356 2 ↓
Hi High (pH 8-9.5) 0.90 4.96 -12.48 2 4 0 59 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(6…

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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) 0.90 5.38 -61.13 3 4 1 61 270.356 2 ↓
Hi High (pH 8-9.5) 0.90 4.95 -12.04 2 4 0 59 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(6-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) 1.41 5.6 -60.49 3 4 1 61 284.383 2 ↓
Hi High (pH 8-9.5) 1.41 5.3 -10.18 2 4 0 59 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(6-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) 1.41 5.45 -65.1 3 4 1 61 284.383 2 ↓
Hi High (pH 8-9.5) 1.41 4.64 -10.5 2 4 0 59 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-tert-butyl-5-(6-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) 1.41 5.47 -64.96 3 4 1 61 284.383 2 ↓
Hi High (pH 8-9.5) 1.41 5.15 -11.96 2 4 0 59 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-tert-butyl-5-(6-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) 1.41 5.59 -60.51 3 4 1 61 284.383 2 ↓
Hi High (pH 8-9.5) 1.41 5.05 -11.82 2 4 0 59 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-isobutyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5R)-4-amino-1-isobutyl-5-(6-…

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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) 1.34 6.18 -61.76 3 4 1 61 284.383 3 ↓
Hi High (pH 8-9.5) 1.34 5.89 -10.91 2 4 0 59 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isobutyl-5-(6-quinolyl)pyrrolidin-2-one (4R,5S)-4-amino-1-isobutyl-5-(6-…

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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) 1.34 5.88 -66.52 3 4 1 61 284.383 3 ↓
Hi High (pH 8-9.5) 1.34 5.6 -10.67 2 4 0 59 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isobutyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5R)-4-amino-1-isobutyl-5-(6-…

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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) 1.34 6.04 -65.68 3 4 1 61 284.383 3 ↓
Hi High (pH 8-9.5) 1.34 5.75 -12.92 2 4 0 59 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isobutyl-5-(6-quinolyl)pyrrolidin-2-one (4S,5S)-4-amino-1-isobutyl-5-(6-…

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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) 1.34 6.26 -55.75 3 4 1 61 284.383 3 ↓
Hi High (pH 8-9.5) 1.34 6 -11.96 2 4 0 59 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-4-amino-1-(2-methoxyethyl)-5-(6-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) 0.21 4.03 -57.08 3 5 1 70 286.355 4 ↓
Hi High (pH 8-9.5) 0.21 3.75 -10.11 2 5 0 68 285.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-(2-methoxyethyl)-5-(6-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) 0.21 3.58 -68.21 3 5 1 70 286.355 4 ↓
Hi High (pH 8-9.5) 0.21 3.29 -13.19 2 5 0 68 285.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-(2-methoxyethyl)-5-(6-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) 0.21 3.89 -59.9 3 5 1 70 286.355 4 ↓
Hi High (pH 8-9.5) 0.21 3.6 -11.9 2 5 0 68 285.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-(2-methoxyethyl)-5-(6-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) 0.21 3.96 -57.87 3 5 1 70 286.355 4 ↓
Hi High (pH 8-9.5) 0.21 3.68 -14.69 2 5 0 68 285.347 4 ↓

Parameters Provided:

ring.id = 531254
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 = 531254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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