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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropyl-2-isoindolin-2-yl-thiazol-5-yl)methanamine (4-cyclopropyl-2-isoindolin-2-yl…

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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) 2.09 7.18 -49.35 3 3 1 44 272.397 3 ↓
Mid Mid (pH 6-8) 2.09 6.79 -6.54 2 3 0 42 271.389 3 ↓

Analogs

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Popular Name: 1-(4-cyclopropyl-2-isoindolin-2-yl-thiazol-5-yl)-N-methyl-methanamine 1-(4-cyclopropyl-2-isoindolin-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) 2.46 9.05 -43.31 2 3 1 33 286.424 4 ↓
Hi High (pH 8-9.5) 2.46 7.61 -5.96 1 3 0 28 285.416 4 ↓

Analogs

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Popular Name: N-[(4-cyclopropyl-2-isoindolin-2-yl-thiazol-5-yl)methyl]ethanamine N-[(4-cyclopropyl-2-isoindolin-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) 2.84 9.91 -42.3 2 3 1 33 300.451 5 ↓
Hi High (pH 8-9.5) 2.84 8.54 -5.78 1 3 0 28 299.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-2-isoindolin-2-yl-thiazole-5-carbaldehyde 4-cyclopropyl-2-isoindolin-2-yl-…

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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) 2.70 8.9 -9.19 0 3 0 33 270.357 3 ↓

Analogs

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Popular Name: 4-cyclopropyl-2-isoindolin-2-yl-thiazole-5-carboxylic 4-cyclopropyl-2-isoindolin-2-yl-…

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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 9.7 -52.05 0 4 -1 56 285.348 3 ↓
Lo Low (pH 4.5-6) 2.48 10.09 -38.16 1 4 0 58 286.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropyl-2-isoindolin-2-yl-thiazol-5-yl)methanol (4-cyclopropyl-2-isoindolin-2-yl…

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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 6.47 -8.71 1 3 0 36 272.373 3 ↓
Lo Low (pH 4.5-6) 2.24 6.86 -24.54 2 3 1 38 273.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropylthiazol-2-yl)isoindolin-4-amine 2-(4-cyclopropylthiazol-2-yl)iso…

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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) 2.10 6.71 -7.21 2 3 0 42 257.362 2 ↓
Lo Low (pH 4.5-6) 2.10 7.16 -24.91 3 3 1 43 258.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropylthiazol-2-yl)isoindolin-5-amine 2-(4-cyclopropylthiazol-2-yl)iso…

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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) 1.72 6.71 -7.27 2 3 0 42 257.362 2 ↓
Lo Low (pH 4.5-6) 1.72 7.17 -24.47 3 3 1 43 258.37 2 ↓

Parameters Provided:

ring.id = 304561
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 = 304561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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