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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: 2-[[(3R)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 2-[[(3R)-3-methyl-4-([1,2,4]tria…

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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) 1.81 10.11 -15.78 0 7 0 73 333.399 3 ↓
Mid Mid (pH 6-8) 1.81 12.16 -55.94 1 7 1 75 334.407 3 ↓

Analogs

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Popular Name: 2-[[(3S)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 2-[[(3S)-3-methyl-4-([1,2,4]tria…

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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) 1.81 9.88 -16.13 0 7 0 73 333.399 3 ↓
Mid Mid (pH 6-8) 1.81 12.09 -56.74 1 7 1 75 334.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 3-[[(3R)-3-methyl-4-([1,2,4]tria…

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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 10.06 -15.26 0 7 0 73 333.399 3 ↓
Mid Mid (pH 6-8) 1.83 12.28 -66.67 1 7 1 75 334.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 3-[[(3S)-3-methyl-4-([1,2,4]tria…

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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 9.99 -16.29 0 7 0 73 333.399 3 ↓
Mid Mid (pH 6-8) 1.83 12.22 -67.7 1 7 1 75 334.407 3 ↓

Analogs

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Popular Name: 6-[(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[(2R)-4-[(3-methoxyphenyl)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) 2.13 8.96 -12.65 0 7 0 59 338.415 4 ↓
Mid Mid (pH 6-8) 2.13 11.19 -56.45 1 7 1 60 339.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[(2S)-4-[(3-methoxyphenyl)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) 2.13 8.9 -13.32 0 7 0 59 338.415 4 ↓
Mid Mid (pH 6-8) 2.13 11.14 -57.28 1 7 1 60 339.423 4 ↓

Analogs

4512549
4512549

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Popular Name: 6-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-(4-benzylpiperazin-1-yl)-3-(tr…

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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) 2.77 8.88 -12.34 0 6 0 50 362.359 4 ↓

Analogs

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Popular Name: 6-(4-benzylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[3,4-f]pyridazine 6-(4-benzylpiperazin-1-yl)-3-met…

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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 8.63 -12.55 0 6 0 50 308.389 3 ↓
Mid Mid (pH 6-8) 1.86 10.85 -57.62 1 6 1 51 309.397 3 ↓

Analogs

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Popular Name: 6-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(3-fluoro-4-methoxy-phenyl…

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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 10.38 -65.1 1 7 1 60 343.386 4 ↓
Mid Mid (pH 6-8) 1.92 8.15 -16.28 0 7 0 59 342.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]acetamide (2S)-2-phenyl-2-[4-([1,2,4]triaz…

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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) 0.69 5.82 -16.06 2 8 0 93 337.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]acetamide (2R)-2-phenyl-2-[4-([1,2,4]triaz…

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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) 0.69 5.96 -16.37 2 8 0 93 337.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 2-[[4-([1,2,4]triazolo[3,4-f]pyr…

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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) 1.48 9.21 -16.36 0 7 0 73 319.372 3 ↓
Mid Mid (pH 6-8) 1.48 11.24 -55.43 1 7 1 75 320.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-methyl-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(3-methoxyphenyl)methyl]pi…

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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 7.92 -13.8 0 7 0 59 338.415 4 ↓
Mid Mid (pH 6-8) 1.89 10.15 -59.4 1 7 1 60 339.423 4 ↓

Analogs

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Popular Name: 6-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(5-fluoro-2-methoxy-phenyl…

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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 8.4 -13.65 0 7 0 59 342.378 4 ↓
Mid Mid (pH 6-8) 1.92 10.64 -56.38 1 7 1 60 343.386 4 ↓

Analogs

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Popular Name: 6-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-methyl-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(1S)-1-(2-fluorophenyl)eth…

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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 9.6 -14.65 0 6 0 50 340.406 3 ↓
Mid Mid (pH 6-8) 2.54 11.41 -56.69 1 6 1 51 341.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-[(1R)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-methyl-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(1R)-1-(2-fluorophenyl)eth…

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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 9.64 -14.53 0 6 0 50 340.406 3 ↓
Mid Mid (pH 6-8) 2.54 11.45 -55.86 1 6 1 51 341.414 3 ↓

Analogs

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Popular Name: 6-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(2-methoxy-5-methyl-phenyl…

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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 11.24 -53.26 1 7 1 60 339.423 4 ↓
Mid Mid (pH 6-8) 2.21 9 -12.73 0 7 0 59 338.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 5-fluoro-2-[[4-([1,2,4]triazolo[…

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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) 1.62 9.28 -16.82 0 7 0 73 337.362 3 ↓
Mid Mid (pH 6-8) 1.62 11.31 -60.7 1 7 1 75 338.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 3-[[4-([1,2,4]triazolo[3,4-f]pyr…

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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) 1.50 9.17 -17.33 0 7 0 73 319.372 3 ↓
Mid Mid (pH 6-8) 1.50 11.4 -68.65 1 7 1 75 320.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]benzonitrile 3-[[4-(3-methyl-[1,2,4]triazolo[…

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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 9.02 -16.27 0 7 0 73 333.399 3 ↓
Mid Mid (pH 6-8) 1.59 11.25 -69.5 1 7 1 75 334.407 3 ↓

Analogs

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Popular Name: 6-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-methyl-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(2,3-difluorophenyl)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) 2.09 8.58 -15.11 0 6 0 50 344.369 3 ↓
Mid Mid (pH 6-8) 2.09 10.79 -62.59 1 6 1 51 345.377 3 ↓

Parameters Provided:

ring.id = 338412
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 = 338412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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