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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: (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1,3-benzothiazol-2-yl)propanamide (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4…

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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) 2.20 7.82 -18.56 1 6 0 79 355.419 3 ↓
Hi High (pH 8-9.5) 2.38 7.46 -53.83 0 6 -1 86 354.411 3 ↓

Analogs

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Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1,3-benzothiazol-2-yl)acetamide 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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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) 2.24 7.15 -15.62 1 6 0 79 341.392 3 ↓
Ref Reference (pH 7) 2.24 7.17 -16.09 1 6 0 79 341.392 3 ↓
Ref Reference (pH 7) 2.24 7.15 -15.64 1 6 0 79 341.392 3 ↓

Analogs

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Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl) 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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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) 1.08 5.01 -25.13 1 8 0 114 419.484 4 ↓
Hi High (pH 8-9.5) 0.90 3.48 -56.53 0 8 -1 120 418.476 4 ↓

Analogs

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Popular Name: (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)pro (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4…

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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) 2.61 8.03 -17.46 1 7 0 89 399.472 5 ↓
Hi High (pH 8-9.5) 2.79 7.3 -50.75 0 7 -1 95 398.464 5 ↓

Analogs

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Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamid 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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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) 2.64 7.87 -15.65 1 6 0 79 355.419 3 ↓
Ref Reference (pH 7) 2.64 7.9 -16.07 1 6 0 79 355.419 3 ↓
Ref Reference (pH 7) 2.64 7.87 -15.68 1 6 0 79 355.419 3 ↓

Analogs

8243439
8243439

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Popular Name: (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)pro (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4…

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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) 2.34 7.89 -15.9 1 6 0 79 373.409 3 ↓
Hi High (pH 8-9.5) 2.52 7.52 -46.96 0 6 -1 86 372.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamid 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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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) 2.38 7.55 -16.63 1 6 0 79 359.382 3 ↓
Hi High (pH 8-9.5) 2.19 6.02 -47.46 0 6 -1 86 358.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1,3-benzothiazol-2-yl)-N-ethyl-4-m (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4…

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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) 4.13 12.4 -11.35 0 6 0 71 425.554 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1,3-benzothiazol-2-yl)-N-ethyl-4-m (2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4…

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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) 4.13 11.5 -11.41 0 6 0 71 425.554 6 ↓

Parameters Provided:

ring.id = 104655
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 = 104655 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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