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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide N-(1,3-benzothiazol-2-yl)-2-(2-m…

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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 5.71 -22.05 1 6 0 73 329.381 6 ↓

Analogs

6613103
6613103
6613104
6613104

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Popular Name: 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide 2-(2-methoxyethoxy)-N-(6-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) 2.81 6.36 -21.61 1 6 0 73 343.408 6 ↓

Analogs

31824193
31824193

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Popular Name: N-(6-ethoxybenzothiazol-2-yl)-2-sulfanyl-pyridine-3-carboxamide N-(6-ethoxybenzothiazol-2-yl)-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) 3.24 -3.53 -65.22 1 5 -1 64 330.414 4 ↓

Analogs

31824193
31824193

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Popular Name: N-(6-methoxybenzothiazol-2-yl)-2-sulfanyl-pyridine-3-carboxamide N-(6-methoxybenzothiazol-2-yl)-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) 2.86 -3.54 -65.57 1 5 -1 64 316.387 3 ↓

Analogs

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Popular Name: N-benzothiazol-2-yl-2-sulfanyl-pyridine-3-carboxamide N-benzothiazol-2-yl-2-sulfanyl-p…

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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) 2.83 -3.68 -58.7 1 4 -1 55 286.361 2 ↓

Analogs

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Popular Name: 2-sulfanyl-N-[6-(trifluoromethoxy)benzothiazol-2-yl]-pyridine-3-carboxamide 2-sulfanyl-N-[6-(trifluoromethox…

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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) 3.78 6.12 -62.58 1 5 -1 64 370.357 4 ↓
Mid Mid (pH 6-8) 3.05 6.46 -40.02 2 5 0 67 371.365 4 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide N-(1,3-benzothiazol-2-yl)-5-brom…

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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) 3.33 7.35 -14.83 0 5 0 55 392.278 5 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-6-methyl-pyridine-3-carboxamide N-(1,3-benzothiazol-2-yl)-N-(2-m…

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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) 2.43 7.82 -15.76 0 5 0 55 327.409 5 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethyl-pyridine-3-carboxamide N-(1,3-benzothiazol-2-yl)-6-chlo…

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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) 3.79 8.28 -15.84 0 4 0 46 317.801 3 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-5-bromo-N-ethyl-pyridine-3-carboxamide N-(1,3-benzothiazol-2-yl)-5-brom…

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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) 3.73 8.33 -13.99 0 4 0 46 362.252 3 ↓

Analogs

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Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methyl-pyridine-3-carboxamide N-(6-methoxy-1,3-benzothiazol-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) 2.23 5.73 -13.56 1 5 0 64 299.355 3 ↓

Analogs

4421331
4421331
25895823
25895823

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Popular Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methyl-pyridine-3-carboxamide N-(6-ethoxy-1,3-benzothiazol-2-y…

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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 6.65 -13.34 1 5 0 64 313.382 4 ↓

Analogs

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Popular Name: 6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide 6-methyl-N-(6-methyl-1,3-benzoth…

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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) 2.63 7.09 -13.83 1 4 0 55 283.356 2 ↓

Analogs

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Popular Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-methoxy-pyridine-3-carboxamide N-(6-amino-1,3-benzothiazol-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) 1.55 3.42 -20.17 3 6 0 90 300.343 3 ↓

Analogs

25511874
25511874

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Popular Name: 2-(difluoromethylsulfanyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide 2-(difluoromethylsulfanyl)-N-(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) 3.60 6.63 -17.23 1 5 0 64 367.402 5 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-6-methoxy-pyridine-3-carboxamide N-(1,3-benzothiazol-2-yl)-6-meth…

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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) 2.55 4 -10.81 1 5 0 64 285.328 3 ↓

Analogs

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Popular Name: 2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide 2-chloro-N-(4,7-dimethyl-1,3-ben…

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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) 3.92 7.65 -18.76 1 4 0 55 317.801 2 ↓

Analogs

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Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-6-fluoro-pyridine-3-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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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) 3.31 6.28 -11.63 1 4 0 55 307.737 2 ↓

Analogs

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Popular Name: 6-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide 6-fluoro-N-(6-methyl-1,3-benzoth…

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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 6.42 -13.44 1 4 0 55 287.319 2 ↓

Analogs

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Popular Name: 6-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide 6-fluoro-N-(6-methoxy-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) 2.69 5.05 -13.37 1 5 0 64 303.318 3 ↓

Analogs

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Popular Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-pyridine-3-carboxamide N-(6-ethoxy-1,3-benzothiazol-2-y…

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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) 3.06 5.98 -13.11 1 5 0 64 317.345 4 ↓

Analogs

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Popular Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-6-fluoro-pyridine-3-carboxamide N-(4,6-dimethyl-1,3-benzothiazol…

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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) 3.46 6.8 -10.73 1 4 0 55 301.346 2 ↓

Analogs

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Popular Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methoxy-pyridine-3-carboxamide N-(6-acetamido-1,3-benzothiazol-…

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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) 1.69 4.42 -24.26 2 7 0 93 342.38 4 ↓

Parameters Provided:

ring.id = 35129
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 = 35129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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