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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-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 3-(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) 5.35 12.03 -11.24 0 5 0 64 428.282 4 ↓
Ref Reference (pH 7) 5.35 12.04 -11.38 0 5 0 64 428.282 4 ↓

Analogs

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Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-methoxybenzoate 3-(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) 4.63 11.49 -15.48 0 6 0 73 379.412 5 ↓

Analogs

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Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-methoxybenzoate 3-(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 10.73 -15.04 0 6 0 73 379.412 5 ↓
Ref Reference (pH 7) 4.57 10.73 -15.2 0 6 0 73 379.412 5 ↓

Analogs

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Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-chlorobenzoate 3-(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) 4.83 11.83 -14.73 0 5 0 64 383.831 4 ↓
Ref Reference (pH 7) 4.83 11.82 -14.55 0 5 0 64 383.831 4 ↓

Analogs

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Popular Name: 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl benzoate 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) 4.55 12.09 -13.67 0 5 0 64 363.413 4 ↓
Ref Reference (pH 7) 4.55 11.82 -11.84 0 5 0 64 363.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoate 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) 5.22 12.34 -9.93 0 5 0 64 397.858 4 ↓
Ref Reference (pH 7) 5.22 12.61 -11.71 0 5 0 64 397.858 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 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) 5.36 12.72 -11.54 0 5 0 64 442.309 4 ↓
Ref Reference (pH 7) 5.36 12.45 -9.85 0 5 0 64 442.309 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]phenyl] [3-[(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 12.53 -11.51 0 8 0 110 408.41 5 ↓
Ref Reference (pH 7) 4.51 12.81 -13.13 0 8 0 110 408.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate 3-(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) 4.99 12.08 -13.1 0 5 0 64 363.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate 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) 5.00 12.51 -12.87 0 5 0 64 377.44 4 ↓
Ref Reference (pH 7) 5.00 12.79 -14.78 0 5 0 64 377.44 4 ↓

Parameters Provided:

ring.id = 41173
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 = 41173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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