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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12222011
12222011

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Popular Name: 1-[(2R)-2-methyl-1-piperidyl]-3-[2-(3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-one 1-[(2R)-2-methyl-1-piperidyl]-3-…

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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) 2.79 -0.36 -10.57 0 5 0 51 348.45 4 ↓
Lo Low (pH 4.5-6) 2.79 -0.26 -37.32 1 5 1 52 349.458 4 ↓
Lo Low (pH 4.5-6) 2.79 -0.26 -43.79 1 5 1 52 349.458 4 ↓

Analogs

12222010
12222010

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Popular Name: 1-[(2S)-2-methyl-1-piperidyl]-3-[2-(3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-one 1-[(2S)-2-methyl-1-piperidyl]-3-…

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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) 2.79 -0.35 -10.32 0 5 0 51 348.45 4 ↓
Lo Low (pH 4.5-6) 2.79 -0.25 -37.5 1 5 1 52 349.458 4 ↓
Lo Low (pH 4.5-6) 2.79 -0.25 -43.53 1 5 1 52 349.458 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methyl-1-piperidyl)-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-one 1-(4-methyl-1-piperidyl)-3-[2-(2…

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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) 2.92 -0.01 -10.87 0 5 0 51 362.477 4 ↓
Lo Low (pH 4.5-6) 2.92 0.06 -43.01 1 5 1 52 363.485 4 ↓
Lo Low (pH 4.5-6) 2.92 0.12 -37.38 1 5 1 52 363.485 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propanoyl]piperidine-4-carboxamide 1-[3-[2-(2-methyl-3-pyridyl)pyrr…

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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) 1.28 -3.17 -18.68 2 7 0 94 391.475 5 ↓
Lo Low (pH 4.5-6) 1.28 -3.1 -49.62 3 7 1 95 392.483 5 ↓
Lo Low (pH 4.5-6) 1.28 -3.04 -48.11 3 7 1 95 392.483 5 ↓

Analogs

12222786
12222786

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-methyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-one 1-[(3R)-3-methyl-1-piperidyl]-3-…

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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) 2.92 -0.02 -10.91 0 5 0 51 362.477 4 ↓
Lo Low (pH 4.5-6) 2.92 0.05 -42.53 1 5 1 52 363.485 4 ↓
Lo Low (pH 4.5-6) 2.92 0.11 -37.74 1 5 1 52 363.485 4 ↓

Analogs

12222785
12222785

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-methyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-one 1-[(3S)-3-methyl-1-piperidyl]-3-…

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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) 2.92 -0.08 -10.9 0 5 0 51 362.477 4 ↓
Lo Low (pH 4.5-6) 2.92 -0.01 -42.96 1 5 1 52 363.485 4 ↓
Lo Low (pH 4.5-6) 2.92 0.05 -37.5 1 5 1 52 363.485 4 ↓

Analogs

12222788
12222788
12222789
12222789
12222790
12222790
12222791
12222791
12222792
12222792

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3R)-2,3-dimethyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-on 1-[(2R,3R)-2,3-dimethyl-1-piperi…

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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) 3.25 0.44 -11.16 0 5 0 51 376.504 4 ↓
Lo Low (pH 4.5-6) 3.25 0.51 -43.15 1 5 1 52 377.512 4 ↓
Lo Low (pH 4.5-6) 3.25 0.59 -37.37 1 5 1 52 377.512 4 ↓

Analogs

12222789
12222789
12222790
12222790
12222791
12222791
12222792
12222792
12222787
12222787

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-2,3-dimethyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-on 1-[(2R,3S)-2,3-dimethyl-1-piperi…

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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) 3.25 0.21 -10.18 0 5 0 51 376.504 4 ↓
Lo Low (pH 4.5-6) 3.25 0.27 -42.26 1 5 1 52 377.512 4 ↓
Lo Low (pH 4.5-6) 3.25 0.35 -36.52 1 5 1 52 377.512 4 ↓

Analogs

12222790
12222790
12222791
12222791
12222792
12222792
12222787
12222787
12222788
12222788

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3R)-2,3-dimethyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-on 1-[(2S,3R)-2,3-dimethyl-1-piperi…

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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) 3.25 0.13 -10.16 0 5 0 51 376.504 4 ↓
Lo Low (pH 4.5-6) 3.25 0.2 -42.46 1 5 1 52 377.512 4 ↓
Lo Low (pH 4.5-6) 3.25 0.28 -36.39 1 5 1 52 377.512 4 ↓

Analogs

12222791
12222791
12222792
12222792
12222787
12222787
12222788
12222788

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-2,3-dimethyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-on 1-[(2S,3S)-2,3-dimethyl-1-piperi…

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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) 3.25 0.39 -11.16 0 5 0 51 376.504 4 ↓
Lo Low (pH 4.5-6) 3.25 0.46 -42.67 1 5 1 52 377.512 4 ↓
Lo Low (pH 4.5-6) 3.25 0.52 -37.67 1 5 1 52 377.512 4 ↓

Analogs

12222792
12222792
12222787
12222787
12222788
12222788

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-methyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-one 1-[(2R)-2-methyl-1-piperidyl]-3-…

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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) 3.01 -0.24 -10.16 0 5 0 51 362.477 4 ↓
Lo Low (pH 4.5-6) 3.01 -0.17 -42.14 1 5 1 52 363.485 4 ↓
Lo Low (pH 4.5-6) 3.01 -0.1 -36.48 1 5 1 52 363.485 4 ↓

Analogs

12222787
12222787
12222788
12222788

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-methyl-1-piperidyl]-3-[2-(2-methyl-3-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-one 1-[(2S)-2-methyl-1-piperidyl]-3-…

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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) 3.01 -0.2 -10.1 0 5 0 51 362.477 4 ↓
Lo Low (pH 4.5-6) 3.01 -0.14 -41.37 1 5 1 52 363.485 4 ↓
Lo Low (pH 4.5-6) 3.01 -0.09 -37.05 1 5 1 52 363.485 4 ↓

Parameters Provided:

ring.id = 93619
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 = 93619 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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