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

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methoxy-5-methyl-benzamide N-[(3aS,5R,7aR)-2,3,3a,4,5,6,7,7…

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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) 3.16 6.55 -46.63 3 4 1 55 289.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,5S,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methoxy-5-methyl-benzamide N-[(3aS,5S,7aR)-2,3,3a,4,5,6,7,7…

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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) 3.16 6.54 -53.18 3 4 1 55 289.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-fluoro-2-methyl-benzamide N-[(3aS,5R,7aR)-2,3,3a,4,5,6,7,7…

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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) 2.72 6.08 -42.96 3 3 1 46 277.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,5S,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-fluoro-2-methyl-benzamide N-[(3aS,5S,7aR)-2,3,3a,4,5,6,7,7…

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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) 2.72 6.07 -47.3 3 3 1 46 277.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3,4,5-trifluoro-benzamide N-[(3aS,5R,7aR)-2,3,3a,4,5,6,7,7…

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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) 2.52 5.53 -46.59 3 3 1 46 299.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,5S,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3,4,5-trifluoro-benzamide N-[(3aS,5S,7aR)-2,3,3a,4,5,6,7,7…

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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) 2.52 5.52 -52.08 3 3 1 46 299.316 2 ↓

Parameters Provided:

ring.id = 37554
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 = 37554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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