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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: 3-[(3aS,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,6-dimethylphenyl)benza 3-[(3aS,5R,7aR)-1,3-dioxo-5-phen…

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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) 4.76 14.22 -17.41 1 5 0 66 452.554 4 ↓
Ref Reference (pH 7) 4.76 14.23 -17.22 1 5 0 66 452.554 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5S,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,6-dimethylphenyl)benza 3-[(3aS,5S,7aR)-1,3-dioxo-5-phen…

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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) 4.76 14.22 -17.6 1 5 0 66 452.554 4 ↓
Ref Reference (pH 7) 4.76 14.54 -16.65 1 5 0 66 452.554 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methoxy-pheny 3-[(3aS,5R,7aR)-1,3-dioxo-5-phen…

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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) 5.55 12.69 -18.24 1 6 0 76 488.971 5 ↓
Ref Reference (pH 7) 5.55 12.21 -17.13 1 6 0 76 488.971 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5S,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methoxy-pheny 3-[(3aS,5S,7aR)-1,3-dioxo-5-phen…

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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) 5.55 12.69 -18.29 1 6 0 76 488.971 5 ↓
Ref Reference (pH 7) 5.55 12.61 -16.67 1 6 0 76 488.971 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3-dimethylphenyl)benza 3-[(3aS,5R,7aR)-1,3-dioxo-5-phen…

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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) 5.69 14.17 -18.37 1 5 0 66 452.554 4 ↓
Ref Reference (pH 7) 5.69 13.68 -17.2 1 5 0 66 452.554 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5S,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3-dimethylphenyl)benza 3-[(3aS,5S,7aR)-1,3-dioxo-5-phen…

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Activity (Go SEA)

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) 5.69 14.18 -18.48 1 5 0 66 452.554 4 ↓
Ref Reference (pH 7) 5.69 14.1 -16.82 1 5 0 66 452.554 4 ↓

Parameters Provided:

ring.id = 42023
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 = 42023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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