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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-(2,4-dimethylphenyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione 2-(2,4-dimethylphenyl)-5-phenylh…

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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) 4.85 12.48 -11.54 0 3 0 37 333.431 2 ↓
Ref Reference (pH 7) 4.85 12.09 -10.41 0 3 0 37 333.431 2 ↓

Analogs

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Popular Name: (3aS,5R,7aR)-2-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-di (3aS,5R,7aR)-2-[2-chloro-5-(trif…

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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) 5.53 12.59 -9.55 0 3 0 37 407.819 3 ↓
Ref Reference (pH 7) 5.53 12.64 -11.01 0 3 0 37 407.819 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5S,7aR)-2-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-di (3aS,5S,7aR)-2-[2-chloro-5-(trif…

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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) 5.53 12.18 -9.86 0 3 0 37 407.819 3 ↓
Ref Reference (pH 7) 5.53 12.62 -10.88 0 3 0 37 407.819 3 ↓

Analogs

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Popular Name: (3aS,5S,7aR)-2-(4-bromo-3,5-dimethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,5S,7aR)-2-(4-bromo-3,5-dime…

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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) 5.59 12.41 -7.51 0 3 0 37 412.327 2 ↓
Ref Reference (pH 7) 5.59 12.48 -9.19 0 3 0 37 412.327 2 ↓

Analogs

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Popular Name: (3aS,5R,7aR)-2-(4-bromo-2,3-dimethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,5R,7aR)-2-(4-bromo-2,3-dime…

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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) 5.59 12.49 -9.54 0 3 0 37 412.327 2 ↓
Ref Reference (pH 7) 5.59 12.87 -10.69 0 3 0 37 412.327 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5S,7aR)-2-(4-bromo-2,3-dimethyl-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,5S,7aR)-2-(4-bromo-2,3-dime…

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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) 5.59 12.9 -9.32 0 3 0 37 412.327 2 ↓
Ref Reference (pH 7) 5.59 12.91 -10.52 0 3 0 37 412.327 2 ↓

Analogs

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Popular Name: 3-[(3aS,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic 3-[(3aS,5R,7aR)-1,3-dioxo-5-phen…

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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) 3.91 11.23 -56.84 0 5 -1 78 348.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aS,5S,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic 3-[(3aS,5S,7aR)-1,3-dioxo-5-phen…

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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) 3.91 10.82 -57.96 0 5 -1 78 348.378 3 ↓

Parameters Provided:

ring.id = 42017
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 = 42017 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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