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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: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-nitrobenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.50 12.14 -15.26 0 8 0 110 394.383 5 ↓
Ref Reference (pH 7) 4.50 12.15 -15.3 0 8 0 110 394.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.52 12.16 -11.33 0 8 0 110 394.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 5.37 12.07 -9.32 0 5 0 64 428.282 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(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) 4.66 11.61 -17.23 0 6 0 73 379.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(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) 4.66 11.51 -14.32 0 6 0 73 379.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-methoxybenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.60 10.74 -12.72 0 6 0 73 379.412 5 ↓
Ref Reference (pH 7) 4.60 10.74 -12.7 0 6 0 73 379.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-chlorobenzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.86 11.84 -12.26 0 5 0 64 383.831 4 ↓
Ref Reference (pH 7) 4.86 11.84 -12.32 0 5 0 64 383.831 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl benzoate 4-(1,3-dioxooctahydro-2H-isoindo…

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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) 4.57 11.44 -10.97 0 5 0 64 349.386 4 ↓
Ref Reference (pH 7) 4.57 11.45 -11.03 0 5 0 64 349.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 4-(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) 5.38 12.45 -9.06 0 5 0 64 442.309 4 ↓
Ref Reference (pH 7) 5.38 12.72 -10.43 0 5 0 64 442.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate 4-(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) 4.99 12.52 -11.75 0 5 0 64 442.309 4 ↓
Ref Reference (pH 7) 4.99 12.57 -13.18 0 5 0 64 442.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,5R,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(3aR,5R,7aR)-5-methyl-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) 4.51 12.77 -16.48 0 8 0 110 408.41 5 ↓
Ref Reference (pH 7) 4.51 12.74 -15.07 0 8 0 110 408.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] [4-[(3aR,5S,7aR)-5-methyl-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) 4.51 12.8 -16.27 0 8 0 110 408.41 5 ↓
Ref Reference (pH 7) 4.51 12.53 -15.05 0 8 0 110 408.41 5 ↓

Analogs

4188539
4188539

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate 4-(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) 5.02 12.52 -10.52 0 5 0 64 377.44 4 ↓
Ref Reference (pH 7) 5.02 12.79 -12.07 0 5 0 64 377.44 4 ↓

Analogs

4188539
4188539

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate 4-(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) 5.02 12.73 -10.56 0 5 0 64 377.44 4 ↓
Ref Reference (pH 7) 5.02 12.76 -12.01 0 5 0 64 377.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-methoxybenzoate 4-(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) 4.66 12.14 -15.48 0 6 0 73 393.439 5 ↓
Ref Reference (pH 7) 4.66 11.87 -14.06 0 6 0 73 393.439 5 ↓

Parameters Provided:

ring.id = 41163
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 = 41163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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