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

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

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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) 4.62 11.34 -17.78 1 5 0 66 410.901 3 ↓
Ref Reference (pH 7) 4.62 11.28 -16.61 1 5 0 66 410.901 3 ↓

Analogs

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Popular Name: 3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(o-tolyl)benzamide 3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,…

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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) 3.96 10.22 -17.14 1 5 0 66 362.429 3 ↓

Analogs

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Popular Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(o-tolyl)benzamide 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,…

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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) 3.96 10.15 -15.71 1 5 0 66 362.429 3 ↓
Ref Reference (pH 7) 3.96 10.15 -15.72 1 5 0 66 362.429 3 ↓

Analogs

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Popular Name: 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(2-methylphenyl)benzamide 3-(5-methyl-1,3-dioxooctahydro-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) 3.97 10.83 -16.94 1 5 0 66 376.456 3 ↓
Ref Reference (pH 7) 3.97 10.55 -15.53 1 5 0 66 376.456 3 ↓

Analogs

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Popular Name: 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(2-methylphenyl)benzamide 3-(5-methyl-1,3-dioxooctahydro-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) 3.97 10.82 -16.76 1 5 0 66 376.456 3 ↓
Ref Reference (pH 7) 3.97 10.76 -15.5 1 5 0 66 376.456 3 ↓

Analogs

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Popular Name: 3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,4-dimethoxyphenyl)benzamide 3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,…

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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) 3.61 8.02 -17.14 1 7 0 85 408.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,4-dimethoxyphenyl)benzamide 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,…

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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) 3.60 7.97 -15.15 1 7 0 85 408.454 5 ↓
Ref Reference (pH 7) 3.60 7.96 -15.2 1 7 0 85 408.454 5 ↓

Analogs

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

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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) 4.62 11.07 -16.69 1 5 0 66 410.901 3 ↓
Ref Reference (pH 7) 4.62 11.35 -18.01 1 5 0 66 410.901 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5R,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,4-dimethoxyphenyl)benz 3-[(3aS,5R,7aR)-5-methyl-1,3-dio…

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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) 3.61 8.61 -16.72 1 7 0 85 422.481 5 ↓
Ref Reference (pH 7) 3.61 8.56 -15.15 1 7 0 85 422.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,4-dimethoxyphenyl)benz 3-[(3aS,5S,7aR)-5-methyl-1,3-dio…

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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) 3.61 8.35 -15.12 1 7 0 85 422.481 5 ↓
Ref Reference (pH 7) 3.61 8.58 -16.47 1 7 0 85 422.481 5 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxyphenyl)-3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzamide N-(5-chloro-2-methoxyphenyl)-3-(…

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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) 4.23 9.79 -15.58 1 6 0 76 426.9 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxyphenyl)-3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzamide N-(5-chloro-2-methoxyphenyl)-3-(…

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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) 4.23 9.58 -15.57 1 6 0 76 426.9 4 ↓

Analogs

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

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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) 3.56 9.23 -15.68 1 5 0 66 348.402 3 ↓
Ref Reference (pH 7) 3.56 9.23 -15.72 1 5 0 66 348.402 3 ↓

Analogs

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Popular Name: 3-[(3aS,5R,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methoxyphenyl)benzamid 3-[(3aS,5R,7aR)-5-methyl-1,3-dio…

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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) 3.63 9.2 -17.5 1 6 0 76 392.455 4 ↓
Ref Reference (pH 7) 3.63 9.15 -16.04 1 6 0 76 392.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methoxyphenyl)benzamid 3-[(3aS,5S,7aR)-5-methyl-1,3-dio…

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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) 3.63 8.94 -16.06 1 6 0 76 392.455 4 ↓
Ref Reference (pH 7) 3.63 9.17 -17.22 1 6 0 76 392.455 4 ↓

Analogs

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Popular Name: 3-[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-iodophenyl)benzamide 3-[(3aR,5S,7aR)-5-methyl-1,3-dio…

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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) 4.65 10.98 -15.58 1 5 0 66 488.325 3 ↓

Analogs

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

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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) 3.44 11.4 -15.96 1 5 0 66 390.483 3 ↓
Ref Reference (pH 7) 3.44 11.51 -15.36 1 5 0 66 390.483 3 ↓

Analogs

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

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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) 3.44 11.38 -15.95 1 5 0 66 390.483 3 ↓
Ref Reference (pH 7) 3.44 11.73 -15.33 1 5 0 66 390.483 3 ↓

Analogs

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Popular Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-fluorophenyl)benzamide 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,…

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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) 3.73 9.32 -15.51 1 5 0 66 366.392 3 ↓
Ref Reference (pH 7) 3.73 9.32 -15.52 1 5 0 66 366.392 3 ↓

Analogs

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Popular Name: 3-[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-fluorophenyl)benzamide 3-[(3aR,5S,7aR)-5-methyl-1,3-dio…

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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) 3.73 9.95 -16.41 1 5 0 66 380.419 3 ↓
Ref Reference (pH 7) 3.73 9.72 -15.22 1 5 0 66 380.419 3 ↓

Analogs

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Popular Name: 3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-bromophenyl)benzamide 3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,…

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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) 4.37 9.93 -16.03 1 5 0 66 427.298 3 ↓

Analogs

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Popular Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-bromophenyl)benzamide 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,…

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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) 4.37 9.87 -14.92 1 5 0 66 427.298 3 ↓

Parameters Provided:

ring.id = 39923
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 = 39923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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