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Analogs

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Popular Name: (Z)-2-methyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1-piperidyl]pent-2-en-1-one (Z)-2-methyl-1-[4-(1H-pyrrolo[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) 2.86 9.15 -12.43 1 4 0 49 297.402 3 ↓

Analogs

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Popular Name: 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1-piperidyl]sulfonyl]pentanenitrile 5-[[4-(1H-pyrrolo[2,3-b]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) 1.20 7.17 -19.85 1 6 0 90 346.456 6 ↓

Analogs

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Popular Name: [(1R)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pentyl]urea [(1R)-1-[4-(1H-pyrrolo[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) 1.90 6.2 -21.12 4 7 0 104 357.458 6 ↓

Analogs

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Popular Name: 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]-4-piperidyl]-1H-pyrrolo[2,3-b]pyridine 3-[1-[3-(2,2,2-trifluoroethoxy)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) 2.77 9.46 -49.65 2 4 1 42 342.385 7 ↓
Hi High (pH 8-9.5) 2.77 7.22 -9.31 1 4 0 41 341.377 7 ↓

Analogs

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Popular Name: 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide 4-(1H-pyrrolo[2,3-b]pyridin-3-yl…

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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) 2.72 6.77 -11.46 2 5 0 61 326.322 3 ↓

Parameters Provided:

ring.id = 169082
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 = 169082 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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