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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: N-methyl-1-[4-[[methyl(thiazol-4-ylmethyl)amino]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[methyl(thiazol-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) 0.77 4.4 -90.51 3 4 2 47 270.427 6 ↓
Hi High (pH 8-9.5) 0.77 2.95 -33.48 2 4 1 42 269.419 6 ↓

Analogs

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Popular Name: N-[[4-[[methyl(thiazol-4-ylmethyl)amino]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[methyl(thiazol-4-ylmethy…

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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) 1.15 5.26 -90.1 3 4 2 47 284.454 7 ↓
Hi High (pH 8-9.5) 1.15 3.89 -33.18 2 4 1 42 283.446 7 ↓

Analogs

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Popular Name: N-[[4-[[methyl(thiazol-4-ylmethyl)amino]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[methyl(thiazol-4-ylmethy…

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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) 1.65 6.01 -91.57 3 4 2 47 298.481 8 ↓
Hi High (pH 8-9.5) 1.65 4.65 -33.16 2 4 1 42 297.473 8 ↓

Analogs

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Popular Name: N-[[4-[[methyl(thiazol-4-ylmethyl)amino]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[methyl(thiazol-4-ylmethy…

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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) 1.44 5.79 -89.06 3 4 2 47 298.481 7 ↓
Hi High (pH 8-9.5) 1.44 4.56 -33.12 2 4 1 42 297.473 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-[[methyl(thiazol-4-ylmethyl)amino]methyl]thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[4-[[methyl(thiazol-…

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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) 1.96 6.22 -87.68 3 4 2 47 312.508 7 ↓
Hi High (pH 8-9.5) 1.96 4.96 -32.96 2 4 1 42 311.5 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[4-[[methyl(thiazol-4-ylmethyl)amino]methyl]thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[4-[[methyl(thiazol-…

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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) 1.89 6.7 -92.08 3 4 2 47 312.508 8 ↓
Hi High (pH 8-9.5) 1.89 4.32 -41.12 2 4 1 46 311.5 8 ↓
Hi High (pH 8-9.5) 1.89 5.48 -33.06 2 4 1 42 311.5 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-methyl-1-thiazol-4-yl-methanamine N-[[2-(aminomethyl)thiazol-4-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) 0.40 2.53 -95.79 4 4 2 58 256.4 5 ↓
Hi High (pH 8-9.5) 0.40 -0.24 -7.82 2 4 0 55 254.384 5 ↓
Mid Mid (pH 6-8) 0.40 2.12 -33.54 3 4 1 56 255.392 5 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-methyl-N-[[2-(methylaminomethy…

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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) 0.48 5.14 -90.08 3 4 2 47 284.454 6 ↓
Hi High (pH 8-9.5) 0.48 3.69 -33.73 2 4 1 42 283.446 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[methyl-[(2-methylthiazol…

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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) 0.86 5.99 -89.71 3 4 2 47 298.481 7 ↓
Hi High (pH 8-9.5) 0.86 4.62 -33.22 2 4 1 42 297.473 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[methyl-[(2-methylthiazol…

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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) 1.36 6.74 -91.14 3 4 2 47 312.508 8 ↓
Hi High (pH 8-9.5) 1.36 5.38 -33.2 2 4 1 42 311.5 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[methyl-[(2-methylthiazol…

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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) 1.16 6.53 -88.61 3 4 2 47 312.508 7 ↓
Hi High (pH 8-9.5) 1.16 5.32 -33.32 2 4 1 42 311.5 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-2-amin 2-methyl-N-[[4-[[methyl-[(2-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) 1.67 6.96 -87.18 3 4 2 47 326.535 7 ↓
Hi High (pH 8-9.5) 1.67 5.7 -33.24 2 4 1 42 325.527 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-1-amin 2-methyl-N-[[4-[[methyl-[(2-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) 1.61 7.44 -91.63 3 4 2 47 326.535 8 ↓
Hi High (pH 8-9.5) 1.61 6.07 -33.49 2 4 1 42 325.527 8 ↓

Analogs

44609159
44609159

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Popular Name: 1-(2-methylthiazol-4-yl)-N-[(2-methylthiazol-4-yl)methyl]methanamine 1-(2-methylthiazol-4-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) 0.66 3.77 -36.75 2 3 1 42 240.377 4 ↓
Hi High (pH 8-9.5) 0.66 2.42 -7.53 1 3 0 38 239.369 4 ↓

Analogs

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Popular Name: N-ethyl-N-[4-[[(2-methylthiazol-4-yl)methylamino]methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[[(2-methylthiazol-…

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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) 0.91 5.85 -40.03 2 5 1 63 311.456 6 ↓
Hi High (pH 8-9.5) 0.91 4.49 -17.27 1 5 0 58 310.448 6 ↓

Parameters Provided:

ring.id = 246008
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 = 246008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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