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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-thiazole-4-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-N…

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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) 1.83 4.93 -14.11 0 5 0 52 276.317 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(1,3-benzodioxol-5-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) 2.15 3.04 -11.35 1 5 0 60 276.317 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(1,3-benzodioxol-5-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) 2.15 3.03 -11.24 1 5 0 60 276.317 3 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-thiazole-4-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-N…

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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) 2.21 6.3 -13.64 0 5 0 52 290.344 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-2-methyl-thiazole-4-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-N…

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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) 1.86 6.62 -11.06 0 6 0 61 348.424 6 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-methoxy-1-methyl-ethyl]-2-methyl-thiazole-4-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-N…

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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) 1.86 6.75 -11.02 0 6 0 61 348.424 6 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)thiazole-4-carboxamide N-(1,3-benzodioxol-5-ylmethyl)th…

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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) 1.59 2.19 -11.13 1 5 0 60 262.29 3 ↓

Analogs

33680606
33680606
33685897
33685897
33738544
33738544

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-thiazole-4-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-N…

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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 5.68 -10.69 0 5 0 52 290.344 3 ↓

Analogs

33680606
33680606
33685897
33685897
36982050
36982050
36982051
36982051

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Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-thiazole-4-carboxamide N-[(1S)-1-(1,3-benzodioxol-5-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) 1.86 3.77 -10.9 1 5 0 60 290.344 3 ↓

Analogs

33680606
33680606
33685897
33685897
36982050
36982050
36982051
36982051

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-thiazole-4-carboxamide N-[(1R)-1-(1,3-benzodioxol-5-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) 1.86 3.77 -10.82 1 5 0 60 290.344 3 ↓

Analogs

33680606
33680606
33869658
33869658
33871558
33871558

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-thiazole-4-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-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) 1.30 2.92 -10.66 1 5 0 60 276.317 3 ↓

Analogs

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Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-methyl-thiazole-4-carboxamide N-[(7-bromo-1,3-benzodioxol-5-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) 2.04 3.54 -10.03 1 5 0 60 355.213 3 ↓

Parameters Provided:

ring.id = 265885
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 = 265885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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