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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: (2S,3S)-1-methyl-2-(6-quinolyl)piperidin-3-amine (2S,3S)-1-methyl-2-(6-quinolyl)p…

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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) 1.17 4.53 -41.31 3 3 1 44 242.346 1 ↓
Lo Low (pH 4.5-6) 1.17 6.28 -119.31 4 3 2 45 243.354 1 ↓
Lo Low (pH 4.5-6) 1.17 5.91 -35.32 3 3 1 43 242.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-methyl-2-(6-quinolyl)piperidin-3-amine (2S,3R)-1-methyl-2-(6-quinolyl)p…

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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) 1.17 3.8 -47.19 3 3 1 44 242.346 1 ↓
Lo Low (pH 4.5-6) 1.17 5.82 -119.47 4 3 2 45 243.354 1 ↓
Lo Low (pH 4.5-6) 1.17 5.52 -39.26 3 3 1 43 242.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-ethyl-2-(6-quinolyl)piperidin-3-amine (2S,3S)-1-ethyl-2-(6-quinolyl)pi…

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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) 1.55 5.29 -41.58 3 3 1 44 256.373 2 ↓
Lo Low (pH 4.5-6) 1.55 6.92 -118.37 4 3 2 45 257.381 2 ↓
Lo Low (pH 4.5-6) 1.55 6.55 -33.9 3 3 1 43 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-ethyl-2-(6-quinolyl)piperidin-3-amine (2S,3R)-1-ethyl-2-(6-quinolyl)pi…

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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) 1.55 4.59 -47.37 3 3 1 44 256.373 2 ↓
Lo Low (pH 4.5-6) 1.55 6.46 -119.25 4 3 2 45 257.381 2 ↓
Lo Low (pH 4.5-6) 1.55 6.16 -37.46 3 3 1 43 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-propyl-2-(6-quinolyl)piperidin-3-amine (2S,3S)-1-propyl-2-(6-quinolyl)p…

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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) 2.05 6.04 -41.9 3 3 1 44 270.4 3 ↓
Lo Low (pH 4.5-6) 2.05 7.66 -120.3 4 3 2 45 271.408 3 ↓
Lo Low (pH 4.5-6) 2.05 7.29 -34.26 3 3 1 43 270.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-propyl-2-(6-quinolyl)piperidin-3-amine (2S,3R)-1-propyl-2-(6-quinolyl)p…

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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) 2.05 5.34 -47.39 3 3 1 44 270.4 3 ↓
Lo Low (pH 4.5-6) 2.05 7.2 -120.98 4 3 2 45 271.408 3 ↓
Lo Low (pH 4.5-6) 2.05 6.91 -37.99 3 3 1 43 270.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-isopropyl-2-(6-quinolyl)piperidin-3-amine (2S,3S)-1-isopropyl-2-(6-quinoly…

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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) 1.84 5.63 -41.72 3 3 1 44 270.4 2 ↓
Lo Low (pH 4.5-6) 1.84 7.18 -117.26 4 3 2 45 271.408 2 ↓
Lo Low (pH 4.5-6) 1.84 6.82 -32.28 3 3 1 43 270.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-isopropyl-2-(6-quinolyl)piperidin-3-amine (2S,3R)-1-isopropyl-2-(6-quinoly…

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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) 1.84 4.79 -46.78 3 3 1 44 270.4 2 ↓
Lo Low (pH 4.5-6) 1.84 6.72 -117.27 4 3 2 45 271.408 2 ↓
Lo Low (pH 4.5-6) 1.84 6.43 -36 3 3 1 43 270.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-tert-butyl-2-(6-quinolyl)piperidin-3-amine (2S,3S)-1-tert-butyl-2-(6-quinol…

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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) 2.36 5.42 -42.39 3 3 1 44 284.427 2 ↓
Mid Mid (pH 6-8) 2.36 6.72 -31.72 3 3 1 43 284.427 2 ↓
Lo Low (pH 4.5-6) 2.36 7.1 -116.62 4 3 2 45 285.435 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-tert-butyl-2-(6-quinolyl)piperidin-3-amine (2S,3R)-1-tert-butyl-2-(6-quinol…

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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) 2.36 4.48 -46.42 3 3 1 44 284.427 2 ↓
Mid Mid (pH 6-8) 2.36 6.16 -35.31 3 3 1 43 284.427 2 ↓
Lo Low (pH 4.5-6) 2.36 6.45 -116.34 4 3 2 45 285.435 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-isobutyl-2-(6-quinolyl)piperidin-3-amine (2S,3S)-1-isobutyl-2-(6-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) 2.29 6.99 -42.48 3 3 1 44 284.427 3 ↓
Lo Low (pH 4.5-6) 2.29 7.99 -33.99 3 3 1 43 284.427 3 ↓
Lo Low (pH 4.5-6) 2.29 8.34 -120.09 4 3 2 45 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-isobutyl-2-(6-quinolyl)piperidin-3-amine (2S,3R)-1-isobutyl-2-(6-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) 2.29 6.28 -47.72 3 3 1 44 284.427 3 ↓
Lo Low (pH 4.5-6) 2.29 7.59 -37.54 3 3 1 43 284.427 3 ↓
Lo Low (pH 4.5-6) 2.29 7.88 -121.5 4 3 2 45 285.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-(2-methoxyethyl)-2-(6-quinolyl)piperidin-3-amine (2S,3S)-1-(2-methoxyethyl)-2-(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) 1.16 4.38 -40.86 3 4 1 53 286.399 4 ↓
Lo Low (pH 4.5-6) 1.16 4.81 -85.86 4 4 2 54 287.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-(2-methoxyethyl)-2-(6-quinolyl)piperidin-3-amine (2S,3R)-1-(2-methoxyethyl)-2-(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) 1.16 3.67 -49.18 3 4 1 53 286.399 4 ↓
Lo Low (pH 4.5-6) 1.16 4.1 -93.33 4 4 2 54 287.407 4 ↓

Parameters Provided:

ring.id = 532143
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 = 532143 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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