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Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(2,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(2,6-dimet…

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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) 2.75 9.2 -46.13 2 3 1 34 264.418 5 ↓
Hi High (pH 8-9.5) 2.75 8.16 -8.05 1 3 0 29 263.41 5 ↓

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(2,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(2,6-dimet…

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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) 2.75 9.2 -45.86 2 3 1 34 264.418 5 ↓
Hi High (pH 8-9.5) 2.75 7.98 -7.98 1 3 0 29 263.41 5 ↓

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(6-methoxyimidazo[2,1-b]thiazol-5-yl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(6-methoxy…

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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) 2.48 6 -41.84 2 4 1 43 266.39 6 ↓
Hi High (pH 8-9.5) 2.48 4.78 -8.22 1 4 0 39 265.382 6 ↓

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(6-methoxyimidazo[2,1-b]thiazol-5-yl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(6-methoxy…

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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) 2.48 5.95 -41.35 2 4 1 43 266.39 6 ↓
Hi High (pH 8-9.5) 2.48 4.83 -7.96 1 4 0 39 265.382 6 ↓

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(6-methyli…

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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) 2.53 8.39 -46.91 2 3 1 34 250.391 5 ↓
Hi High (pH 8-9.5) 2.53 7.35 -8.46 1 3 0 29 249.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(6-methyli…

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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) 2.53 8.35 -46.08 2 3 1 34 250.391 5 ↓
Hi High (pH 8-9.5) 2.53 7.14 -8.28 1 3 0 29 249.383 5 ↓

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(3,6-dimet…

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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) 2.75 8.68 -44.96 2 3 1 34 264.418 5 ↓
Hi High (pH 8-9.5) 2.75 7.56 -8.52 1 3 0 29 263.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(3,6-dimet…

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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) 2.75 8.75 -45.19 2 3 1 34 264.418 5 ↓
Hi High (pH 8-9.5) 2.75 7.46 -8.38 1 3 0 29 263.41 5 ↓

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(2,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]butan-2-amine (2S)-1-cyclopropyl-N-[(2,6-dimet…

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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) 3.28 9.75 -45.95 2 3 1 34 278.445 6 ↓
Hi High (pH 8-9.5) 3.28 8.55 -7.67 1 3 0 29 277.437 6 ↓

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(2,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]butan-2-amine (2R)-1-cyclopropyl-N-[(2,6-dimet…

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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) 3.28 9.82 -46.28 2 3 1 34 278.445 6 ↓
Hi High (pH 8-9.5) 3.28 8.78 -7.73 1 3 0 29 277.437 6 ↓

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(6-methoxyimidazo[2,1-b]thiazol-5-yl)methyl]butan-2-amine (2S)-1-cyclopropyl-N-[(6-methoxy…

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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) 3.02 6.54 -41.62 2 4 1 43 280.417 7 ↓
Hi High (pH 8-9.5) 3.02 5.34 -7.98 1 4 0 39 279.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(6-methoxyimidazo[2,1-b]thiazol-5-yl)methyl]butan-2-amine (2R)-1-cyclopropyl-N-[(6-methoxy…

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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) 3.02 6.61 -42.04 2 4 1 43 280.417 7 ↓
Hi High (pH 8-9.5) 3.02 5.57 -7.88 1 4 0 39 279.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]butan-2-amine (2S)-1-cyclopropyl-N-[(6-methyli…

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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) 3.06 8.92 -46.51 2 3 1 34 264.418 6 ↓
Hi High (pH 8-9.5) 3.06 7.72 -7.97 1 3 0 29 263.41 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]butan-2-amine (2R)-1-cyclopropyl-N-[(6-methyli…

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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) 3.06 9 -46.93 2 3 1 34 264.418 6 ↓
Hi High (pH 8-9.5) 3.06 7.95 -8.05 1 3 0 29 263.41 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]butan-2-amine (2S)-1-cyclopropyl-N-[(3,6-dimet…

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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) 3.28 9.3 -45.18 2 3 1 34 278.445 6 ↓
Hi High (pH 8-9.5) 3.28 8.07 -7.86 1 3 0 29 277.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]butan-2-amine (2R)-1-cyclopropyl-N-[(3,6-dimet…

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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) 3.28 9.37 -45.45 2 3 1 34 278.445 6 ↓
Hi High (pH 8-9.5) 3.28 8.27 -7.86 1 3 0 29 277.437 6 ↓

Parameters Provided:

ring.id = 521959
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 = 521959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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