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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3aS,7aS)-2-[[(2-methoxyphenyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aS)-2-[[(2-methoxyphenyl)a…

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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) 2.48 5.88 -7.26 1 5 0 59 288.347 4 ↓
Ref Reference (pH 7) 2.48 5.89 -7.17 1 5 0 59 288.347 4 ↓

Analogs

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Popular Name: N-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]-N-phenylacetamide N-[(1,3-dioxooctahydro-2H-isoind…

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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) 2.08 9.38 -11.29 0 5 0 58 300.358 3 ↓
Ref Reference (pH 7) 2.08 8.4 -11.13 0 5 0 58 300.358 3 ↓

Analogs

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Popular Name: N-[(1,3-dioxooctahydro-2H-isoindol-2-yl)methyl]-N-(2-methylphenyl)acetamide N-[(1,3-dioxooctahydro-2H-isoind…

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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) 2.48 9.56 -10.73 0 5 0 58 314.385 3 ↓
Ref Reference (pH 7) 2.48 10.25 -11.03 0 5 0 58 314.385 3 ↓

Analogs

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Popular Name: 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione 2-(3-toluidinomethyl)hexahydro-1…

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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) 2.89 7.15 -6.19 1 4 0 49 272.348 3 ↓
Ref Reference (pH 7) 2.89 7.13 -6.32 1 4 0 49 272.348 3 ↓

Analogs

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Popular Name: (3aS,7aS)-2-[(o-tolylamino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aS)-2-[(o-tolylamino)methy…

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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) 2.87 7.25 -6.28 1 4 0 49 272.348 3 ↓
Ref Reference (pH 7) 2.87 7.27 -6.18 1 4 0 49 272.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,7aS)-2-[(p-tolylamino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aS)-2-[(p-tolylamino)methy…

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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) 2.92 7.16 -6.13 1 4 0 49 272.348 3 ↓
Ref Reference (pH 7) 2.92 7.14 -6.27 1 4 0 49 272.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,7aR)-2-[[(2,5-dimethylphenyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aR,7aR)-2-[[(2,5-dimethylpheny…

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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) 3.30 7.94 -6.23 1 4 0 49 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,7aS)-2-[[(2,5-dimethylphenyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aR,7aS)-2-[[(2,5-dimethylpheny…

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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) 3.29 7.93 -6.35 1 4 0 49 286.375 3 ↓
Ref Reference (pH 7) 3.29 7.99 -6.81 1 4 0 49 286.375 3 ↓

Analogs

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Popular Name: N-[[(3aR,5R,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-(3-chloro-4-methy N-[[(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) 3.14 10.41 -10.82 0 5 0 58 362.857 3 ↓
Ref Reference (pH 7) 3.14 10.98 -11.49 0 5 0 58 362.857 3 ↓

Analogs

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Popular Name: 5-methyl-2-(4-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione 5-methyl-2-(4-toluidinomethyl)he…

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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) 2.92 7.81 -6.67 1 4 0 49 286.375 3 ↓
Ref Reference (pH 7) 2.92 7.54 -6.19 1 4 0 49 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chloro-4-methylanilino)methyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione 2-[(3-chloro-4-methylanilino)met…

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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) 3.53 8.18 -6.65 1 4 0 49 320.82 3 ↓
Ref Reference (pH 7) 3.53 8.22 -7.21 1 4 0 49 320.82 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-(p-tolyl)acetamid N-[[(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) 2.53 10.84 -11.57 0 5 0 58 328.412 3 ↓

Parameters Provided:

ring.id = 41095
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 = 41095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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