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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

6859826
6859826
4358604
4358604

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide N-[2-[6-(4-methylpiperazin-1-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) 1.48 9.35 -61.74 2 8 1 80 366.449 5 ↓
Mid Mid (pH 6-8) 1.48 6.99 -19.67 1 8 0 79 365.441 5 ↓

Analogs

6859826
6859826

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-fluoro-N-[2-[6-(4-methylpipera…

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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 9.42 -64 2 8 1 80 384.439 5 ↓
Mid Mid (pH 6-8) 1.62 7.06 -21.31 1 8 0 79 383.431 5 ↓

Analogs

6859826
6859826

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 4-fluoro-N-[2-[6-(4-methylpipera…

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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) 1.64 9.42 -61.65 2 8 1 80 384.439 5 ↓
Mid Mid (pH 6-8) 1.64 7.06 -18.9 1 8 0 79 383.431 5 ↓

Analogs

6859826
6859826
4358604
4358604

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-chloro-N-[2-[6-(4-methylpipera…

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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 9.86 -63.1 2 8 1 80 400.894 5 ↓
Mid Mid (pH 6-8) 2.13 7.5 -20.48 1 8 0 79 399.886 5 ↓

Analogs

6859826
6859826

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 3-methyl-N-[2-[6-(4-methylpipera…

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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 10.01 -61.82 2 8 1 80 380.476 5 ↓
Mid Mid (pH 6-8) 1.90 7.64 -19.8 1 8 0 79 379.468 5 ↓

Analogs

4358626
4358626
6859826
6859826

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 2-fluoro-N-[2-[6-(4-methylpipera…

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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 9.43 -65.78 2 8 1 80 384.439 5 ↓
Mid Mid (pH 6-8) 1.59 7.07 -23.73 1 8 0 79 383.431 5 ↓

Analogs

6859826
6859826
4358612
4358612

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide 4-methyl-N-[2-[6-(4-methylpipera…

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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 10.02 -61.56 2 8 1 80 380.476 5 ↓
Mid Mid (pH 6-8) 1.92 7.65 -19.52 1 8 0 79 379.468 5 ↓

Analogs

6859826
6859826

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide N-[2-[6-[4-(2-hydroxyethyl)piper…

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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) 0.84 4.46 -21.64 2 9 0 99 395.467 7 ↓
Mid Mid (pH 6-8) 0.84 6.77 -60 3 9 1 100 396.475 7 ↓

Analogs

6859826
6859826
4358626
4358626

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benza 3-fluoro-N-[2-[6-[4-(2-hydroxyet…

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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) 0.98 4.53 -19.8 2 9 0 99 413.457 7 ↓
Mid Mid (pH 6-8) 0.98 6.84 -58.14 3 9 1 100 414.465 7 ↓

Analogs

6859826
6859826

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benza 4-fluoro-N-[2-[6-[4-(2-hydroxyet…

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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) 1.01 4.53 -20.84 2 9 0 99 413.457 7 ↓
Mid Mid (pH 6-8) 1.01 6.84 -60.03 3 9 1 100 414.465 7 ↓

Analogs

6859826
6859826
4358622
4358622

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benza 3-chloro-N-[2-[6-[4-(2-hydroxyet…

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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 4.98 -19.53 2 9 0 99 429.912 7 ↓
Mid Mid (pH 6-8) 1.50 7.29 -57.85 3 9 1 100 430.92 7 ↓

Analogs

6859826
6859826

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benz N-[2-[6-[4-(2-hydroxyethyl)piper…

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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 5.13 -21.73 2 9 0 99 409.494 7 ↓
Mid Mid (pH 6-8) 1.27 7.44 -60.11 3 9 1 100 410.502 7 ↓

Analogs

4358626
4358626

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benza 2-fluoro-N-[2-[6-[4-(2-hydroxyet…

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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) 0.96 4.54 -25.72 2 9 0 99 413.457 7 ↓
Mid Mid (pH 6-8) 0.96 6.85 -64.15 3 9 1 100 414.465 7 ↓

Analogs

6859826
6859826

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benz N-[2-[6-[4-(2-hydroxyethyl)piper…

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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) 1.29 5.14 -21.53 2 9 0 99 409.494 7 ↓
Mid Mid (pH 6-8) 1.29 7.45 -59.88 3 9 1 100 410.502 7 ↓

Parameters Provided:

ring.id = 102339
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 = 102339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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