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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

9578766
9578766

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Popular Name: N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide 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) 1.35 7.24 -63.17 2 9 1 97 402.504 6 ↓
Mid Mid (pH 6-8) 1.35 4.9 -19.1 1 9 0 96 401.496 6 ↓

Analogs

9578766
9578766

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Popular Name: 4-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonam 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) 1.51 7.31 -61.64 2 9 1 97 420.494 6 ↓
Mid Mid (pH 6-8) 1.51 4.96 -17.94 1 9 0 96 419.486 6 ↓

Analogs

9578766
9578766

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]benzenesulfonam 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) 1.78 7.91 -58.49 2 9 1 97 416.531 6 ↓
Mid Mid (pH 6-8) 1.78 5.53 -18.25 1 9 0 96 415.523 6 ↓

Analogs

13848128
13848128
13848180
13848180
9578766
9578766

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfona 2-methoxy-N-[2-[6-(4-methylpiper…

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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 7.05 -64.54 2 10 1 106 432.53 7 ↓
Mid Mid (pH 6-8) 1.36 4.7 -20.24 1 10 0 105 431.522 7 ↓

Analogs

9578766
9578766

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]benzenesulfonam 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) 1.80 7.91 -58.52 2 9 1 97 416.531 6 ↓
Mid Mid (pH 6-8) 1.80 5.55 -18.18 1 9 0 96 415.523 6 ↓

Analogs

9578766
9578766

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]benzenesulfona 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) 0.72 2.36 -20.32 2 10 0 116 431.522 8 ↓
Mid Mid (pH 6-8) 0.72 4.68 -56.98 3 10 1 117 432.53 8 ↓

Analogs

9578766
9578766

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]benze 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) 0.88 2.42 -19.44 2 10 0 116 449.512 8 ↓
Mid Mid (pH 6-8) 0.88 4.74 -57.05 3 10 1 117 450.52 8 ↓

Analogs

9578766
9578766

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) 1.14 3.02 -20.26 2 10 0 116 445.549 8 ↓
Mid Mid (pH 6-8) 1.14 5.33 -56.87 3 10 1 117 446.557 8 ↓

Analogs

13848128
13848128
13848180
13848180
9578766
9578766

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]-2-methoxy-ben 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) 0.73 2.16 -21.33 2 11 0 125 461.548 9 ↓
Mid Mid (pH 6-8) 0.73 4.47 -57.03 3 11 1 126 462.556 9 ↓

Analogs

9578766
9578766

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) 1.17 3.04 -20.16 2 10 0 116 445.549 8 ↓
Mid Mid (pH 6-8) 1.17 5.34 -56.87 3 10 1 117 446.557 8 ↓

Parameters Provided:

ring.id = 102850
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 = 102850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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