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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: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-methoxybenzoate 2-(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) 4.55 10.98 -17.99 0 6 0 73 379.412 5 ↓

Analogs

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Popular Name: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoate 2-(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) 5.20 12.2 -13.83 0 5 0 64 383.831 4 ↓

Analogs

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Popular Name: 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl benzoate 2-(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) 4.52 12.28 -16.11 0 5 0 64 363.413 4 ↓
Ref Reference (pH 7) 4.52 12.43 -17.2 0 5 0 64 363.413 4 ↓
Ref Reference (pH 7) 5.38 8.86 -12.85 2 5 0 72 363.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoate 2-(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) 5.20 12.58 -13.75 0 5 0 64 397.858 4 ↓
Ref Reference (pH 7) 5.20 13.05 -14.67 0 5 0 64 397.858 4 ↓

Analogs

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Popular Name: 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 2-(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) 5.33 12.69 -13.6 0 5 0 64 442.309 4 ↓
Ref Reference (pH 7) 5.33 13.16 -14.51 0 5 0 64 442.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate 2-(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) 4.97 12.96 -15.74 0 5 0 64 377.44 4 ↓
Ref Reference (pH 7) 4.97 13.2 -17.39 0 5 0 64 377.44 4 ↓

Analogs

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Popular Name: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-fluorobenzoate 2-(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) 4.29 11.7 -19.89 0 5 0 64 367.376 4 ↓

Parameters Provided:

ring.id = 41179
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 = 41179 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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