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

42390414
42390414
42390417
42390417

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(2-quinolylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(2-quinolylmethyl)pyr…

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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) 2.02 6.95 -34.21 2 3 1 33 270.4 5 ↓
Mid Mid (pH 6-8) 2.02 7.67 -89.86 3 3 2 34 271.408 5 ↓
Lo Low (pH 4.5-6) 2.02 8.75 -110.11 3 3 2 34 271.408 5 ↓

Analogs

42390414
42390414
42390417
42390417

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(2-quinolylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(2-quinolylmethyl)pyr…

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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) 2.02 7.16 -43.74 2 3 1 33 270.4 5 ↓
Mid Mid (pH 6-8) 2.02 7.39 -90.65 3 3 2 34 271.408 5 ↓
Lo Low (pH 4.5-6) 2.02 9.06 -119.73 3 3 2 34 271.408 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-quinolylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(2-quinolylmethyl)pyr…

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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) 2.52 7.7 -34.86 2 3 1 33 284.427 6 ↓
Mid Mid (pH 6-8) 2.52 8.42 -91.85 3 3 2 34 285.435 6 ↓
Lo Low (pH 4.5-6) 2.52 9.51 -112.4 3 3 2 34 285.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(2-quinolylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(2-quinolylmethyl)pyr…

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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) 2.52 7.91 -44.77 2 3 1 33 284.427 6 ↓
Mid Mid (pH 6-8) 2.52 8.14 -92.55 3 3 2 34 285.435 6 ↓
Lo Low (pH 4.5-6) 2.52 9.82 -122.54 3 3 2 34 285.435 6 ↓

Analogs

42390414
42390414
42390417
42390417

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(2-quinolylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(2-quinolylmethyl)pyr…

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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 7.47 -33.28 2 3 1 33 284.427 5 ↓
Mid Mid (pH 6-8) 2.66 8.2 -89.33 3 3 2 34 285.435 5 ↓
Lo Low (pH 4.5-6) 2.66 9.29 -109.28 3 3 2 34 285.435 5 ↓

Analogs

42390414
42390414
42390417
42390417

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(2-quinolylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(2-quinolylmethyl)pyr…

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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 6.32 -42.58 2 3 1 33 284.427 5 ↓
Mid Mid (pH 6-8) 2.66 6.92 -88.31 3 3 2 34 285.435 5 ↓
Lo Low (pH 4.5-6) 2.66 8.64 -112.91 3 3 2 34 285.435 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(2-quinolylmethyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2-quinolylmethy…

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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) 1.81 9.09 -45.76 1 4 0 57 270.332 3 ↓
Hi High (pH 8-9.5) 1.81 6.59 -50.41 0 4 -1 56 269.324 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(2-quinolylmethyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2-quinolylmethy…

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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) 1.81 8.89 -50.81 1 4 0 57 270.332 3 ↓
Hi High (pH 8-9.5) 1.81 6.41 -55.55 0 4 -1 56 269.324 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(2-quinolylmethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2-quinolylmethyl…

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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) 2.14 9.61 -41.71 1 4 0 57 284.359 4 ↓
Hi High (pH 8-9.5) 2.14 7.03 -50.51 0 4 -1 56 283.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(2-quinolylmethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2-quinolylmethyl…

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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) 2.14 9.38 -49.72 1 4 0 57 284.359 4 ↓
Hi High (pH 8-9.5) 2.14 6.91 -54.67 0 4 -1 56 283.351 4 ↓

Analogs

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Popular Name: (3R)-1-[(6-acetamido-2-quinolyl)methyl]-3-amino-pyrrolidine-3-carboxylic (3R)-1-[(6-acetamido-2-quinolyl)…

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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) -2.12 4.6 -83.34 5 7 1 114 329.38 4 ↓
Mid Mid (pH 6-8) -2.12 2.51 -71.36 5 7 1 114 329.38 4 ↓
Mid Mid (pH 6-8) -2.12 2.12 -41.86 4 7 0 113 328.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(6-acetamido-2-quinolyl)methyl]-3-amino-pyrrolidine-3-carboxylic (3S)-1-[(6-acetamido-2-quinolyl)…

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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) -2.12 4.78 -90.14 5 7 1 114 329.38 4 ↓
Mid Mid (pH 6-8) -2.12 2.64 -69.39 5 7 1 114 329.38 4 ↓
Mid Mid (pH 6-8) -2.12 2.28 -51.01 4 7 0 113 328.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-amino-1-[(8-chloro-2-quinolyl)methyl]-N-ethyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-[(8-chloro-2-q…

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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) 0.91 2.87 -68.31 4 5 1 73 333.843 4 ↓
Hi High (pH 8-9.5) 0.91 2.59 -17.86 3 5 0 71 332.835 4 ↓

Analogs

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Popular Name: 3-methyl-N-[[(3S)-1-(2-quinolylmethyl)pyrrolidin-3-yl]methyl]but-2-enamide 3-methyl-N-[[(3S)-1-(2-quinolylm…

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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) 3.10 9.28 -43.59 2 4 1 46 324.448 5 ↓
Hi High (pH 8-9.5) 3.10 6.79 -10.86 1 4 0 45 323.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[[(3R)-1-(2-quinolylmethyl)pyrrolidin-3-yl]methyl]but-2-enamide 3-methyl-N-[[(3R)-1-(2-quinolylm…

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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) 3.10 8.92 -43.16 2 4 1 46 324.448 5 ↓
Hi High (pH 8-9.5) 3.10 6.43 -11.57 1 4 0 45 323.44 5 ↓

Parameters Provided:

ring.id = 104298
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 = 104298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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