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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: (1S)-1-(4-fluorophenyl)-2-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]ethanol (1S)-1-(4-fluorophenyl)-2-[4-([1…

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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) 1.35 6.67 -15.76 1 7 0 70 342.378 4 ↓
Mid Mid (pH 6-8) 1.35 8.89 -64.25 2 7 1 71 343.386 4 ↓

Analogs

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

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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) 1.35 6.64 -15.19 1 7 0 70 342.378 4 ↓
Mid Mid (pH 6-8) 1.35 8.9 -64.15 2 7 1 71 343.386 4 ↓

Analogs

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

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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 6.69 -16.07 1 7 0 70 342.378 4 ↓
Mid Mid (pH 6-8) 1.30 8.91 -56.42 2 7 1 71 343.386 4 ↓

Analogs

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

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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 6.66 -14.46 1 7 0 70 342.378 4 ↓
Mid Mid (pH 6-8) 1.30 8.9 -57.76 2 7 1 71 343.386 4 ↓

Analogs

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Popular Name: (1S)-1-phenyl-2-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]ethanol (1S)-1-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) 1.19 6.6 -14.46 1 7 0 70 324.388 4 ↓
Mid Mid (pH 6-8) 1.19 8.82 -58.83 2 7 1 71 325.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-phenyl-2-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]ethanol (1R)-1-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) 1.19 6.57 -13.8 1 7 0 70 324.388 4 ↓
Mid Mid (pH 6-8) 1.19 8.83 -58.94 2 7 1 71 325.396 4 ↓

Analogs

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

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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) 1.33 6.67 -15.06 1 7 0 70 342.378 4 ↓
Mid Mid (pH 6-8) 1.33 8.89 -62.52 2 7 1 71 343.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.33 6.64 -15.02 1 7 0 70 342.378 4 ↓
Mid Mid (pH 6-8) 1.33 8.9 -62.14 2 7 1 71 343.386 4 ↓

Analogs

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Popular Name: (1R)-2-[4-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]-1-phenyl-ethanol (1R)-2-[4-(3-methyl-[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) 1.27 6.37 -15.12 1 7 0 70 338.415 4 ↓
Mid Mid (pH 6-8) 1.27 8.69 -59.84 2 7 1 71 339.423 4 ↓

Analogs

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Popular Name: (1S)-2-[4-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]-1-phenyl-ethanol (1S)-2-[4-(3-methyl-[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) 1.27 6.43 -15.19 1 7 0 70 338.415 4 ↓
Mid Mid (pH 6-8) 1.27 8.62 -59.38 2 7 1 71 339.423 4 ↓

Analogs

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Popular Name: 6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[2-(4-methoxyphenyl)ethyl]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) 2.23 11.18 -62.34 1 7 1 60 339.423 5 ↓
Mid Mid (pH 6-8) 2.23 8.95 -14.71 0 7 0 59 338.415 5 ↓

Analogs

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Popular Name: 6-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[2-(2-chlorophenyl)ethyl]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) 2.81 12.29 -56.27 1 6 1 51 343.842 4 ↓
Mid Mid (pH 6-8) 2.81 10.06 -13.45 0 6 0 50 342.834 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-1-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]propan-2-ol (2S)-2-phenyl-1-[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) 1.77 7.93 -12.65 1 7 0 70 338.415 4 ↓
Mid Mid (pH 6-8) 1.77 9.64 -59.1 2 7 1 71 339.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-1-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]propan-2-ol (2R)-2-phenyl-1-[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) 1.77 7.87 -13.7 1 7 0 70 338.415 4 ↓
Mid Mid (pH 6-8) 1.77 9.61 -57.35 2 7 1 71 339.423 4 ↓

Analogs

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

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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) 2.18 11.88 -59.21 1 6 1 51 309.397 4 ↓
Mid Mid (pH 6-8) 2.18 9.65 -12.92 0 6 0 50 308.389 4 ↓

Parameters Provided:

ring.id = 467722
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 = 467722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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