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Analogs

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Popular Name: methyl 2-benzyl-7-hydroxy-1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxylate methyl 2-benzyl-7-hydroxy-1,3-di…

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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) 1.40 -0.16 -13.08 1 7 0 98 312.281 4 ↓

Analogs

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Popular Name: 2-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-c]pyridine-1,3-dione 2-(1,2,3,4-tetrahydroisoquinolin…

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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) 1.13 4.13 -9.15 1 5 0 64 279.299 1 ↓
Mid Mid (pH 6-8) 1.13 5.5 -47.17 2 5 1 69 280.307 1 ↓

Analogs

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Popular Name: 2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolo[3,4-c]pyridine-1,3-dione 2-(1,2,3,4-tetrahydroquinolin-7-…

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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) 1.95 5.4 -9.69 1 5 0 64 279.299 1 ↓

Analogs

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Popular Name: 4-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)butanoic acid 4-(1,3-dioxo-1,3-dihydro-2H-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) -0.10 4.46 -51.46 0 6 -1 92 233.203 4 ↓

Analogs

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Popular Name: 6-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)hexanoic acid 6-(1,3-dioxo-1,3-dihydro-2H-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) 0.91 6.02 -51.29 0 6 -1 92 261.257 6 ↓
Lo Low (pH 4.5-6) 0.91 4.05 -12.55 1 6 0 89 262.265 6 ↓

Analogs

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Popular Name: (2R)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-4-methyl-pentanoic (2R)-2-(1,3-dioxopyrrolo[3,4-c]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) 1.00 6.52 -53.51 0 6 -1 92 261.257 4 ↓

Analogs

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Popular Name: (2R)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-methyl-butanoic (2R)-2-(1,3-dioxopyrrolo[3,4-c]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) 0.47 5.99 -52.76 0 6 -1 92 247.23 3 ↓

Analogs

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Popular Name: 2-(1,1-dimethylprop-2-ynyl)pyrrolo[3,4-c]pyridine-1,3-dione 2-(1,1-dimethylprop-2-ynyl)pyrro…

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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) 1.08 4.53 -8.36 0 4 0 52 214.224 1 ↓

Analogs

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Popular Name: 5-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)pentanoic 5-(1,3-dioxopyrrolo[3,4-c]pyridi…

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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) 0.41 5.24 -49.78 0 6 -1 92 247.23 5 ↓
Lo Low (pH 4.5-6) 0.41 3.27 -11.27 1 6 0 89 248.238 5 ↓

Analogs

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Popular Name: (4S)-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)pentanoic (4S)-4-(1,3-dioxopyrrolo[3,4-c]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) 0.27 5.35 -51.37 0 6 -1 92 247.23 4 ↓

Analogs

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Popular Name: (4R)-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)pentanoic (4R)-4-(1,3-dioxopyrrolo[3,4-c]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) 0.27 5.35 -51.34 0 6 -1 92 247.23 4 ↓

Parameters Provided:

ring.id = 227585
filter.purchasability = annotated
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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 = 227585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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