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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-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-bromo-4-methyl-phenyl)propanamide 3-[(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) 3.26 8.26 -9.77 1 5 0 66 393.281 4 ↓

Analogs

15993810
15993810

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Popular Name: 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanami 3-[(3aR,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) 3.00 6.77 -9.77 1 6 0 76 384.354 6 ↓

Analogs

15022775
15022775

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Popular Name: 3-[3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-N-methyl-benzamide 3-[3-[(3aR,7aR)-1,3-dioxo-3a,4,5…

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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) 1.24 5.12 -23.03 2 7 0 96 357.41 5 ↓
Ref Reference (pH 7) 1.24 5.19 -24.65 2 7 0 96 357.41 5 ↓
Ref Reference (pH 7) 1.24 5.12 -22.99 2 7 0 96 357.41 5 ↓

Analogs

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Popular Name: 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(ethyl-isopropyl-amino)phenyl]-propanamide 3-(1,3-dioxo-3a,4,5,6,7,7a-hexah…

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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) 3.23 9.76 -28.04 2 6 0 71 386.516 7 ↓
Mid Mid (pH 6-8) 3.23 9.41 -12.19 1 6 0 70 385.508 7 ↓
Mid Mid (pH 6-8) 3.23 9.48 -13.66 1 6 0 70 385.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl] 3-[(3aR,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) 3.83 9.01 -12.39 1 6 0 76 426.435 8 ↓

Parameters Provided:

ring.id = 42712
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 = 42712 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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