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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: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbonitrile 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) 3.03 8.16 -9.75 1 4 0 62 256.334 2 ↓

Analogs

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Popular Name: 6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile 6-(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) 3.08 8.19 -11.27 1 4 0 62 256.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile 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) 3.03 8.21 -9.63 1 4 0 62 256.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbonitrile 4,6-dimethyl-2-(4,5,6,7-tetrahyd…

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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) 3.85 9.31 -9.27 1 4 0 62 284.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbothioamide 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) 3.08 7.05 -15.07 3 4 0 64 290.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbothioamide 6-(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) 3.13 7 -15.51 3 4 0 64 290.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide 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) 3.08 6.99 -16.27 3 4 0 64 290.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carbothioamide 4,6-dimethyl-2-(4,5,6,7-tetrahyd…

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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) 3.89 8.18 -15.18 3 4 0 64 318.471 3 ↓
Lo Low (pH 4.5-6) 3.89 8.72 -31.69 4 4 1 65 319.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carboxylic 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) 3.19 8.36 -48.39 1 5 -1 78 274.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carboxylic 5-chloro-6-(4,5,6,7-tetrahydro-1…

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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) 3.51 8.92 -47.65 1 5 -1 78 308.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carboxylic 6-(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) 2.90 8.34 -53.81 1 5 -1 78 274.325 3 ↓
Lo Low (pH 4.5-6) 2.90 8.57 -39.4 2 5 0 79 275.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-2-carboxylic 3-chloro-6-(4,5,6,7-tetrahydro-1…

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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) 3.98 8.71 -64.23 1 5 -1 78 308.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carboxylic 2-chloro-6-(4,5,6,7-tetrahydro-1…

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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) 4.21 8.77 -45.44 1 5 -1 78 308.77 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-3-carboxylic 4,6-dimethyl-2-(4,5,6,7-tetrahyd…

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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) 3.66 9.73 -54.04 1 5 -1 78 302.379 3 ↓
Mid Mid (pH 6-8) 3.66 10.32 -34.96 2 5 0 79 303.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromo-2-pyridyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine N-(3-bromo-2-pyridyl)-4,5,6,7-te…

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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) 4.08 8.49 -8.16 1 3 0 38 310.22 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-pyridyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine N-(5-bromo-2-pyridyl)-4,5,6,7-te…

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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) 4.30 8.38 -8.83 1 3 0 38 310.22 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-3-nitro-2-pyridyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine N-(5-bromo-3-nitro-2-pyridyl)-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) 4.19 9.29 -6.69 1 6 0 84 355.217 3 ↓

Parameters Provided:

ring.id = 588101
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 = 588101 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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