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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

20351721
20351721

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-(3-pyridylmethyl)pyrazol-4-amine 1-(2-methoxyethyl)-N-(3-pyridylm…

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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) 0.32 3.07 -7.25 1 5 0 52 232.287 6 ↓
Lo Low (pH 4.5-6) 0.32 3.54 -37.72 2 5 1 53 233.295 6 ↓

Analogs

37786621
37786621
37786622
37786622
20351721
20351721

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Popular Name: 1-(2-methoxyethyl)-N-[(1S)-1-(3-pyridyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1S)-1-(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) 0.88 3.79 -7.41 1 5 0 52 246.314 6 ↓
Lo Low (pH 4.5-6) 0.88 4.27 -38.13 2 5 1 53 247.322 6 ↓

Analogs

37786621
37786621
37786622
37786622
20351721
20351721

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(1R)-1-(3-pyridyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1R)-1-(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) 0.88 3.79 -7.44 1 5 0 52 246.314 6 ↓
Lo Low (pH 4.5-6) 0.88 4.28 -38.21 2 5 1 53 247.322 6 ↓

Analogs

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Popular Name: 1,3,5-trimethyl-N-[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]pyrazol-4-amine 1,3,5-trimethyl-N-[(1R)-1-(2,4,6…

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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) 2.54 6.96 -33.08 2 4 1 44 273.404 3 ↓
Mid Mid (pH 6-8) 2.54 6.6 -8.52 1 4 0 43 272.396 3 ↓
Lo Low (pH 4.5-6) 2.54 7.1 -71.58 3 4 2 45 274.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-trimethyl-N-[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]pyrazol-4-amine 1,3,5-trimethyl-N-[(1S)-1-(2,4,6…

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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) 2.54 6.98 -31.76 2 4 1 44 273.404 3 ↓
Mid Mid (pH 6-8) 2.54 6.59 -9.8 1 4 0 43 272.396 3 ↓
Lo Low (pH 4.5-6) 2.54 7.1 -72.09 3 4 2 45 274.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]amino]pyrazol-1-yl]acetamide 2-[4-[[(1R)-1-(2,4,6-trimethyl-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) 0.83 3.16 -40.14 4 6 1 87 288.375 5 ↓
Mid Mid (pH 6-8) 0.83 2.78 -16.61 3 6 0 86 287.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]amino]pyrazol-1-yl]acetamide 2-[4-[[(1S)-1-(2,4,6-trimethyl-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) 0.83 3.2 -39.98 4 6 1 87 288.375 5 ↓
Mid Mid (pH 6-8) 0.83 2.81 -16.95 3 6 0 86 287.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1R)-1-(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) 2.08 5.96 -31.85 2 5 1 53 289.403 6 ↓
Mid Mid (pH 6-8) 2.08 5.58 -7.61 1 5 0 52 288.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1S)-1-(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) 2.08 6.01 -31.65 2 5 1 53 289.403 6 ↓
Mid Mid (pH 6-8) 2.08 5.62 -7.89 1 5 0 52 288.395 6 ↓

Parameters Provided:

ring.id = 143562
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 = 143562 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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