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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: 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-thienylmethyl)methanamine 1-(2-methylimidazo[1,2-a]pyridin…

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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) 2.62 8.36 -50.65 2 3 1 34 258.37 4 ↓
Hi High (pH 8-9.5) 2.62 7.01 -10.05 1 3 0 29 257.362 4 ↓
Lo Low (pH 4.5-6) 2.62 8.8 -100.46 3 3 2 35 259.378 4 ↓

Analogs

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Popular Name: (1S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)ethanamine (1S)-N-[(2-methylimidazo[1,2-a]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) 3.18 8.88 -46.7 2 3 1 34 272.397 4 ↓
Hi High (pH 8-9.5) 3.18 7.69 -10.45 1 3 0 29 271.389 4 ↓
Lo Low (pH 4.5-6) 3.18 9.33 -96.7 3 3 2 35 273.405 4 ↓

Analogs

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Popular Name: (1R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)ethanamine (1R)-N-[(2-methylimidazo[1,2-a]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) 3.18 8.89 -46.78 2 3 1 34 272.397 4 ↓
Hi High (pH 8-9.5) 3.18 7.66 -9.74 1 3 0 29 271.389 4 ↓
Lo Low (pH 4.5-6) 3.18 9.34 -96.73 3 3 2 35 273.405 4 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine (1S)-1-(5-chloro-2-thienyl)-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) 3.98 9.51 -50.85 2 3 1 34 306.842 4 ↓
Hi High (pH 8-9.5) 3.98 8.31 -10.77 1 3 0 29 305.834 4 ↓
Mid Mid (pH 6-8) 3.98 9.95 -101.96 3 3 2 35 307.85 4 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine (1R)-1-(5-chloro-2-thienyl)-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) 3.98 9.52 -51.05 2 3 1 34 306.842 4 ↓
Hi High (pH 8-9.5) 3.98 8.29 -9.95 1 3 0 29 305.834 4 ↓
Mid Mid (pH 6-8) 3.98 9.96 -102.01 3 3 2 35 307.85 4 ↓

Analogs

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Popular Name: (1R)-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-[(2-methylimidaz…

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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) 3.92 10.2 -41.49 2 3 1 34 300.451 5 ↓
Hi High (pH 8-9.5) 3.92 9.3 -8.43 1 3 0 29 299.443 5 ↓
Lo Low (pH 4.5-6) 3.92 10.64 -92.24 3 3 2 35 301.459 5 ↓

Analogs

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Popular Name: (1S)-2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)propan-1-amine (1S)-2-methyl-N-[(2-methylimidaz…

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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) 3.92 10.01 -46.01 2 3 1 34 300.451 5 ↓
Hi High (pH 8-9.5) 3.92 9 -9.85 1 3 0 29 299.443 5 ↓
Lo Low (pH 4.5-6) 3.92 10.46 -98.12 3 3 2 35 301.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)propan-1-amine (1S)-N-[(2-methylimidazo[1,2-a]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) 3.68 9.72 -43.12 2 3 1 34 286.424 5 ↓
Hi High (pH 8-9.5) 3.68 8.28 -9.36 1 3 0 29 285.416 5 ↓
Lo Low (pH 4.5-6) 3.68 10.16 -92.29 3 3 2 35 287.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)propan-1-amine (1R)-N-[(2-methylimidazo[1,2-a]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) 3.68 9.71 -41.49 2 3 1 34 286.424 5 ↓
Hi High (pH 8-9.5) 3.68 8.32 -9.78 1 3 0 29 285.416 5 ↓
Lo Low (pH 4.5-6) 3.68 10.15 -91.45 3 3 2 35 287.432 5 ↓

Analogs

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Popular Name: (1S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)butan-1-amine (1S)-N-[(2-methylimidazo[1,2-a]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) 4.24 10.49 -44.17 2 3 1 34 300.451 6 ↓
Hi High (pH 8-9.5) 4.24 9.43 -8.91 1 3 0 29 299.443 6 ↓
Lo Low (pH 4.5-6) 4.24 10.93 -94.28 3 3 2 35 301.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-thienyl)butan-1-amine (1R)-N-[(2-methylimidazo[1,2-a]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) 4.24 10.48 -42.3 2 3 1 34 300.451 6 ↓
Hi High (pH 8-9.5) 4.24 9.26 -8.78 1 3 0 29 299.443 6 ↓
Lo Low (pH 4.5-6) 4.24 10.92 -93.52 3 3 2 35 301.459 6 ↓

Parameters Provided:

ring.id = 550483
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 = 550483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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