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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,N-dimethyl-2-[[5-(4-pyridyl)pyrazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]acetamide N,N-dimethyl-2-[[5-(4-pyridyl)py…

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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 4.52 -13.48 0 6 0 54 341.337 7 ↓
Lo Low (pH 4.5-6) 0.62 6.76 -41.51 1 6 1 55 342.345 7 ↓

Analogs

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Popular Name: N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]-N-(2,2,2-trifluoroethyl)butan-1-amine N-[[5-(4-pyridyl)pyrazol-1-yl]me…

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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) 3.15 6.35 -6.75 0 4 0 34 312.339 8 ↓
Lo Low (pH 4.5-6) 3.15 6.82 -39.32 1 4 1 35 313.347 8 ↓

Analogs

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Popular Name: 3-methoxy-N-(2-methoxyethyl)-N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]propan-1-amine 3-methoxy-N-(2-methoxyethyl)-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) 1.03 3.88 -8.77 0 6 0 52 304.394 10 ↓
Lo Low (pH 4.5-6) 1.03 6.12 -38.79 1 6 1 54 305.402 10 ↓

Analogs

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Popular Name: (2S)-N-ethyl-3-methyl-N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]butan-2-amine (2S)-N-ethyl-3-methyl-N-[[5-(4-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) 2.62 7.32 -5.48 0 4 0 34 272.396 6 ↓
Mid Mid (pH 6-8) 2.62 8.6 -34.06 1 4 1 35 273.404 6 ↓
Lo Low (pH 4.5-6) 2.62 9.08 -89 2 4 2 36 274.412 6 ↓

Analogs

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Popular Name: (2R)-N-ethyl-3-methyl-N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]butan-2-amine (2R)-N-ethyl-3-methyl-N-[[5-(4-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) 2.62 6.91 -5.64 0 4 0 34 272.396 6 ↓
Mid Mid (pH 6-8) 2.62 8.51 -33.22 1 4 1 35 273.404 6 ↓
Lo Low (pH 4.5-6) 2.62 8.98 -88.68 2 4 2 36 274.412 6 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-N-(2-methoxyethyl)-N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]ethanamine 2,2,2-trifluoro-N-(2-methoxyethy…

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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) 1.70 3.92 -8.27 0 5 0 43 314.311 8 ↓
Lo Low (pH 4.5-6) 1.70 4.4 -40.8 1 5 1 44 315.319 8 ↓

Analogs

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Popular Name: N-(2,2-difluoroethyl)-N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]propan-1-amine N-(2,2-difluoroethyl)-N-[[5-(4-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) 2.24 5.44 -7.12 0 4 0 34 280.322 7 ↓
Lo Low (pH 4.5-6) 2.24 5.93 -38.33 1 4 1 35 281.33 7 ↓

Analogs

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Popular Name: 2,2-difluoro-N-(2-methoxyethyl)-N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]ethanamine 2,2-difluoro-N-(2-methoxyethyl)-…

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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) 1.34 3.78 -8.89 0 5 0 43 296.321 8 ↓
Lo Low (pH 4.5-6) 1.34 4.25 -40.09 1 5 1 44 297.329 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-difluoro-N-methyl-N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]ethanamine 2,2-difluoro-N-methyl-N-[[5-(4-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) 1.36 5.26 -9.98 0 4 0 34 252.268 5 ↓
Lo Low (pH 4.5-6) 1.36 5.74 -42.4 1 4 1 35 253.276 5 ↓

Analogs

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Popular Name: 3-[isopentyl-[[5-(4-pyridyl)pyrazol-1-yl]methyl]amino]propanenitrile 3-[isopentyl-[[5-(4-pyridyl)pyra…

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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) 1.90 7.16 -12.15 0 5 0 58 297.406 8 ↓
Lo Low (pH 4.5-6) 1.90 9.36 -54.2 1 5 1 59 298.414 8 ↓

Analogs

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Popular Name: 3-[2-ethylbutyl-[[5-(4-pyridyl)pyrazol-1-yl]methyl]amino]propanenitrile 3-[2-ethylbutyl-[[5-(4-pyridyl)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) 2.37 8.18 -10.99 0 5 0 58 311.433 9 ↓
Lo Low (pH 4.5-6) 2.37 10.17 -51.92 1 5 1 59 312.441 9 ↓

Parameters Provided:

ring.id = 478940
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 478940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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