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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: (7R)-2-isoindolin-2-yl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-isoindolin-2-yl-5,5-dimet…

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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) 1.52 7.48 -47.65 3 3 1 44 300.451 1 ↓
Hi High (pH 8-9.5) 1.52 7.16 -7.03 2 3 0 42 299.443 1 ↓
Mid Mid (pH 6-8) 1.52 7.91 -98.27 4 3 2 45 301.459 1 ↓

Analogs

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Popular Name: (7S)-2-isoindolin-2-yl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-2-isoindolin-2-yl-5,5-dimet…

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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) 1.52 7.48 -47.66 3 3 1 44 300.451 1 ↓
Hi High (pH 8-9.5) 1.52 7.16 -5.86 2 3 0 42 299.443 1 ↓
Mid Mid (pH 6-8) 1.52 7.91 -98.29 4 3 2 45 301.459 1 ↓

Analogs

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Popular Name: (7R)-2-isoindolin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-isoindolin-2-yl-4,5,6,7-t…

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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) 0.63 6.61 -47.12 3 3 1 44 272.397 1 ↓
Mid Mid (pH 6-8) 0.63 6.28 -7.37 2 3 0 42 271.389 1 ↓
Lo Low (pH 4.5-6) 0.63 7.03 -96.46 4 3 2 45 273.405 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-isoindolin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-isoindolin-2-yl-4,5,6,7-t…

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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) 0.63 6.61 -47.11 3 3 1 44 272.397 1 ↓
Mid Mid (pH 6-8) 0.63 6.29 -6.26 2 3 0 42 271.389 1 ↓
Lo Low (pH 4.5-6) 0.63 7.03 -96.47 4 3 2 45 273.405 1 ↓

Analogs

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Popular Name: (7R)-2-isoindolin-2-yl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-isoindolin-2-yl-N-methyl-…

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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) 2.88 8.35 -41.29 2 3 1 33 286.424 2 ↓
Hi High (pH 8-9.5) 2.88 6.94 -6.2 1 3 0 28 285.416 2 ↓
Lo Low (pH 4.5-6) 2.88 8.79 -90.36 3 3 2 34 287.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-isoindolin-2-yl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-isoindolin-2-yl-N-methyl-…

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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) 2.88 8.35 -41.3 2 3 1 33 286.424 2 ↓
Hi High (pH 8-9.5) 2.88 6.94 -7.76 1 3 0 28 285.416 2 ↓
Lo Low (pH 4.5-6) 2.88 8.8 -90.42 3 3 2 34 287.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N-ethyl-2-isoindolin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-ethyl-2-isoindolin-2-yl-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) 3.26 9.2 -39.86 2 3 1 33 300.451 3 ↓
Hi High (pH 8-9.5) 3.26 7.87 -6.02 1 3 0 28 299.443 3 ↓
Mid Mid (pH 6-8) 3.26 9.64 -89.83 3 3 2 34 301.459 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N-ethyl-2-isoindolin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-ethyl-2-isoindolin-2-yl-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) 3.26 9.2 -39.85 2 3 1 33 300.451 3 ↓
Hi High (pH 8-9.5) 3.26 7.86 -7.54 1 3 0 28 299.443 3 ↓
Mid Mid (pH 6-8) 3.26 9.64 -89.83 3 3 2 34 301.459 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-isoindolin-2-yl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-2-isoindolin-2-yl-5,5-dimet…

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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) 3.22 6.93 -7.17 1 3 0 36 300.427 1 ↓
Mid Mid (pH 6-8) 3.22 7.35 -25.98 2 3 1 38 301.435 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-isoindolin-2-yl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-2-isoindolin-2-yl-5,5-dimet…

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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) 3.22 6.93 -7.18 1 3 0 36 300.427 1 ↓
Mid Mid (pH 6-8) 3.22 7.35 -25.99 2 3 1 38 301.435 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-isoindolin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-isoindolin-2-yl-4,5,6,7-t…

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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) 2.33 6.02 -7.73 1 3 0 36 272.373 1 ↓
Lo Low (pH 4.5-6) 2.33 6.45 -26.13 2 3 1 38 273.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-isoindolin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-isoindolin-2-yl-4,5,6,7-t…

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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) 2.33 6.02 -7.72 1 3 0 36 272.373 1 ↓
Lo Low (pH 4.5-6) 2.33 6.45 -26.13 2 3 1 38 273.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)isoindolin-4-amine 2-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 2.75 7.24 -7.29 2 3 0 42 271.389 1 ↓
Mid Mid (pH 6-8) 2.75 7.67 -23.62 3 3 1 43 272.397 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)isoindolin-5-amine 2-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 2.37 7.25 -7.43 2 3 0 42 271.389 1 ↓
Mid Mid (pH 6-8) 2.37 7.68 -23.19 3 3 1 43 272.397 1 ↓

Parameters Provided:

ring.id = 158342
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 = 158342 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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