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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

12536539
12536539

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Popular Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxamide N-[(1R)-2-methoxy-1-methyl-ethyl…

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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) 1.31 5.16 -13.31 1 7 0 90 353.378 6 ↓
Lo Low (pH 4.5-6) 1.31 5.44 -39.8 2 7 1 92 354.386 6 ↓

Analogs

12536538
12536538

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Popular Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxamide N-[(1S)-2-methoxy-1-methyl-ethyl…

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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) 1.31 5.16 -13.31 1 7 0 90 353.378 6 ↓
Lo Low (pH 4.5-6) 1.31 5.44 -39.79 2 7 1 92 354.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxamide N-butyl-1,3-dioxo-2-(4-pyridylme…

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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) 2.44 6.68 -14.32 1 6 0 81 337.379 6 ↓
Lo Low (pH 4.5-6) 2.44 7.14 -41.34 2 6 1 82 338.387 6 ↓

Analogs

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Popular Name: 1,3-dioxo-N-pentyl-2-(4-pyridylmethyl)isoindoline-5-carboxamide 1,3-dioxo-N-pentyl-2-(4-pyridylm…

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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) 2.94 7.45 -16.53 1 6 0 81 351.406 7 ↓
Lo Low (pH 4.5-6) 2.94 7.88 -45.13 2 6 1 82 352.414 7 ↓

Analogs

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Popular Name: N-allyl-1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxamide N-allyl-1,3-dioxo-2-(4-pyridylme…

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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) 1.64 5.7 -16.12 1 6 0 81 321.336 5 ↓
Lo Low (pH 4.5-6) 1.64 6.14 -44.66 2 6 1 82 322.344 5 ↓

Analogs

17168123
17168123

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Popular Name: N,N-diallyl-1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxamide N,N-diallyl-1,3-dioxo-2-(4-pyrid…

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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) 2.06 8.64 -12.74 0 6 0 72 361.401 7 ↓
Lo Low (pH 4.5-6) 2.06 9.1 -41.15 1 6 1 74 362.409 7 ↓

Analogs

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Popular Name: 4-[(1,3-dioxoisoindolin-2-yl)methyl]pyridine-2-carbothioamide 4-[(1,3-dioxoisoindolin-2-yl)met…

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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) 2.09 5.29 -16.19 2 5 0 78 297.339 3 ↓
Lo Low (pH 4.5-6) 2.09 5.66 -47.85 3 5 1 79 298.347 3 ↓

Parameters Provided:

ring.id = 103486
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 = 103486 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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