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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: [(3R)-3-methyl-1-piperidyl]-[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidyl]methanone [(3R)-3-methyl-1-piperidyl]-[1-[…

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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) 2.74 12.68 -53.18 1 5 1 43 369.533 4 ↓
Hi High (pH 8-9.5) 2.74 10.45 -13.01 0 5 0 41 368.525 4 ↓

Analogs

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Popular Name: [(3S)-3-methyl-1-piperidyl]-[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidyl]methanone [(3S)-3-methyl-1-piperidyl]-[1-[…

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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) 2.74 12.69 -52.94 1 5 1 43 369.533 4 ↓
Hi High (pH 8-9.5) 2.74 10.45 -12.58 0 5 0 41 368.525 4 ↓

Analogs

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Popular Name: (4-methyl-1-piperidyl)-[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidyl]methanone (4-methyl-1-piperidyl)-[1-[2-(1-…

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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) 2.74 12.69 -53.12 1 5 1 43 369.533 4 ↓
Hi High (pH 8-9.5) 2.74 10.46 -12.89 0 5 0 41 368.525 4 ↓

Analogs

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Popular Name: [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidyl]-(1-piperidyl)methanone [1-[2-(1-methylpyrrolo[2,3-b]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) 2.50 12.09 -52.95 1 5 1 43 355.506 4 ↓
Hi High (pH 8-9.5) 2.50 9.87 -13.04 0 5 0 41 354.498 4 ↓

Analogs

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Popular Name: [1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidyl]-[(3S)-3-methyl-1-piperidyl]methanone [1-[2-(1-ethylpyrrolo[2,3-b]pyri…

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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) 3.11 13.58 -52.81 1 5 1 43 383.56 5 ↓
Hi High (pH 8-9.5) 3.11 11.36 -12.83 0 5 0 41 382.552 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidyl]-[(3R)-3-methyl-1-piperidyl]methanone [1-[2-(1-ethylpyrrolo[2,3-b]pyri…

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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) 3.11 13.6 -53.36 1 5 1 43 383.56 5 ↓
Hi High (pH 8-9.5) 3.11 11.37 -12.84 0 5 0 41 382.552 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-piperidyl]-(1-piperidyl)methanone [1-[2-(1-ethylpyrrolo[2,3-b]pyri…

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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) 2.87 13 -52.76 1 5 1 43 369.533 5 ↓
Hi High (pH 8-9.5) 2.87 10.79 -12.77 0 5 0 41 368.525 5 ↓

Parameters Provided:

ring.id = 380446
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 = 380446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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