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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[5-(1,5-dimethylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-3-keto-butyric-acid-ethyl-ester 4-[[5-(1,5-dimethylpyrazol-3-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) 0.79 3.2 -19.41 0 8 0 91 351.432 9 ↓

Analogs

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Popular Name: 4-Methyl-5-(1-methyl-1H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol 4-Methyl-5-(1-methyl-1H-pyrazol-…

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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) 0.62 4.86 -48.68 0 5 -1 49 194.243 1 ↓
Mid Mid (pH 6-8) -0.11 4.8 -12.11 1 5 0 51 195.251 1 ↓

Analogs

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Popular Name: N-allyl-2-[[5-(1,5-dimethylpyrazol-3-yl)-4-isobutyl-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[5-(1,5-dimethylpyraz…

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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) 1.92 0.28 -13.75 1 7 0 77 348.476 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[[5-(1,5-dimethylpyrazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[5-(1,5-dimethylpyraz…

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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) 0.79 -0.2 -14.34 1 7 0 77 306.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide 2-[[5-(1,5-dimethylpyrazol-3-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) 1.27 6.66 -14.21 1 7 0 78 322.438 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[[5-(1,5-dimethylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[5-(1,5-dimethylpyraz…

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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) 1.17 -0.03 -14.13 1 7 0 77 320.422 7 ↓

Analogs

2793467
2793467

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-isobutyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide 2-[[5-(1,5-dimethylpyrazol-3-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) 2.39 0.41 -13.58 1 7 0 77 364.519 8 ↓

Analogs

2793415
2793415

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Popular Name: 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide 2-[[5-(1,5-dimethylpyrazol-3-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) 1.65 0.1 -14.03 1 7 0 77 336.465 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[4-ethyl-5-(1-ethylpy…

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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) 1.32 -0.02 -14.03 1 7 0 77 320.422 8 ↓

Analogs

2794008
2794008

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Popular Name: N-allyl-2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[4-ethyl-5-[1-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) 2.08 1.71 -11.01 1 7 0 77 374.392 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide 2-[[4-ethyl-5-(1-ethylpyrazol-3-…

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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) 1.80 0.11 -13.92 1 7 0 77 336.465 8 ↓

Analogs

2794008
2794008

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetami 2-[[4-ethyl-5-[1-methyl-5-(trifl…

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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) 2.56 1.84 -10.9 1 7 0 77 390.435 8 ↓

Parameters Provided:

ring.id = 234499
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 = 234499 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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