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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

4165088
4165088

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Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(p-tolylmethyl)acetamide 2-[[3-(4-ethoxyphenyl)-[1,2,4]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) 4.48 11.19 -15.09 1 7 0 81 433.537 8 ↓

Analogs

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Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]ace 2-[[3-(4-ethoxyphenyl)-[1,2,4]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) 4.04 9.85 -16.18 1 8 0 91 449.536 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]ace 2-[[3-(4-ethoxyphenyl)-[1,2,4]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) 4.06 9.81 -16.54 1 8 0 91 449.536 9 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acet N-[(4-chlorophenyl)methyl]-2-[[3…

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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) 4.71 11.03 -15.66 1 7 0 81 453.955 8 ↓

Analogs

38575045
38575045
9415518
9415518

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Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(p-tolylmethyl)acetamid 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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) 3.69 10.18 -17.84 1 8 0 91 449.536 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-[(2-methoxyphenyl)methy 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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) 3.25 8.84 -18.88 1 9 0 100 465.535 9 ↓

Analogs

38575042
38575042
9415518
9415518

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-[(3-methoxyphenyl)methy 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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) 3.28 8.8 -19.21 1 9 0 100 465.535 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl N-[(4-chlorophenyl)methyl]-2-[[3…

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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) 3.92 10.02 -18.57 1 8 0 91 469.954 8 ↓

Analogs

4164178
4164178

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Popular Name: 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(p-tolylmethyl)acetamide 2-[[3-(4-fluorophenyl)-[1,2,4]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) 4.21 11.03 -14.16 1 6 0 72 407.474 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]ace 2-[[3-(4-fluorophenyl)-[1,2,4]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) 3.77 9.69 -15.22 1 7 0 81 423.473 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]ace 2-[[3-(4-fluorophenyl)-[1,2,4]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) 3.79 9.65 -15.56 1 7 0 81 423.473 7 ↓

Analogs

9414906
9414906

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acet N-[(4-chlorophenyl)methyl]-2-[[3…

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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) 4.44 10.87 -14.82 1 6 0 72 427.892 6 ↓

Parameters Provided:

ring.id = 591727
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 = 591727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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