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Analogs

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Popular Name: (2S)-2-hydroxy-N-[[2-methoxy-5-oxo-6-[2-(2-pyridyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propa (2S)-2-hydroxy-N-[[2-methoxy-5-o…

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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) -0.25 1.76 -21.77 2 8 0 105 370.409 7 ↓
Lo Low (pH 4.5-6) -0.25 2.14 -47.96 3 8 1 106 371.417 7 ↓

Analogs

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Popular Name: (2R)-2-hydroxy-N-[[2-methoxy-5-oxo-6-[2-(2-pyridyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]propa (2R)-2-hydroxy-N-[[2-methoxy-5-o…

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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) -0.25 1.76 -21.8 2 8 0 105 370.409 7 ↓
Lo Low (pH 4.5-6) -0.25 2.14 -47.94 3 8 1 106 371.417 7 ↓

Analogs

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Popular Name: N-[[2-methoxy-5-oxo-6-[2-(2-pyridyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-2-oxo-butanamide N-[[2-methoxy-5-oxo-6-[2-(2-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) 0.07 3.87 -15.67 1 8 0 101 382.42 8 ↓
Lo Low (pH 4.5-6) 0.07 4.22 -44.24 2 8 1 103 383.428 8 ↓

Analogs

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Popular Name: (2S)-N-[[2-methoxy-5-oxo-6-[2-(2-pyridyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-2-(methylamino (2S)-N-[[2-methoxy-5-oxo-6-[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) 0.13 3.1 -48.06 3 8 1 101 384.46 8 ↓
Hi High (pH 8-9.5) 0.13 1.76 -17.15 2 8 0 96 383.452 8 ↓
Lo Low (pH 4.5-6) 0.13 3.45 -84.87 4 8 2 102 385.468 8 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[[2-methoxy-5-oxo-6-[2-(2-pyridyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]butanam (2S)-2-amino-N-[[2-methoxy-5-oxo…

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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) -0.24 2.03 -52.36 4 8 1 112 384.46 8 ↓
Hi High (pH 8-9.5) -0.24 1.68 -17.59 3 8 0 110 383.452 8 ↓
Lo Low (pH 4.5-6) -0.24 2.38 -88.85 5 8 2 113 385.468 8 ↓

Parameters Provided:

ring.id = 26330
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 = 26330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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