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Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-(phenylBLAHyl)sulfanyl-acetamide N-(2,4-dimethoxyphenyl)-2-(pheny…

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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) 4.80 0.45 -19.67 1 8 0 90 471.542 7 ↓

Analogs

22763981
22763981

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Popular Name: N-(4-methoxyphenyl)-2-(phenylBLAHyl)sulfanyl-acetamide N-(4-methoxyphenyl)-2-(phenylBLA…

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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) 4.82 0.3 -20.93 1 7 0 81 441.516 6 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-(phenylBLAHyl)sulfanyl-acetamide N-(2,5-dimethoxyphenyl)-2-(pheny…

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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) 4.80 0.45 -21.79 1 8 0 90 471.542 7 ↓

Analogs

22764164
22764164

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Popular Name: N-(3,4-dimethoxyphenyl)-2-(phenylBLAHyl)sulfanyl-acetamide N-(3,4-dimethoxyphenyl)-2-(pheny…

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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) 4.41 0.64 -22.08 1 8 0 90 471.542 7 ↓

Analogs

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Popular Name: methyl 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) 5.12 12.4 -20.96 1 9 0 108 499.552 8 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]acetamide N-(3-methoxyphenyl)-2-[[6-(4-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) 4.85 10.73 -24.38 1 8 0 91 471.542 7 ↓

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]aceta N-(2,4-dimethoxyphenyl)-2-[[6-(4…

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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) 4.86 10.16 -20.96 1 9 0 100 501.568 8 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[(6-phenyl-[1,2,4]triazolo[5,4-a]phthalazin-3-yl)sulfanyl]acetamide N-(2-methoxyphenyl)-2-[(6-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) 4.77 11.56 -20.22 1 7 0 81 441.516 6 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]acetamide N-(2-methoxyphenyl)-2-[[6-(4-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) 4.83 10.88 -20.07 1 8 0 91 471.542 7 ↓

Analogs

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Popular Name: 2-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[6-(4-methoxyphenyl)-[1,2,4]t…

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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) 5.27 12.07 -21.13 1 7 0 81 455.543 6 ↓

Analogs

9707474
9707474

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Popular Name: N-(4-methoxyphenyl)-2-[[6-(p-tolyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]acetamide N-(4-methoxyphenyl)-2-[[6-(p-tol…

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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) 5.27 12.06 -22.44 1 7 0 81 455.543 6 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]acetamide N-(4-methoxyphenyl)-2-[[6-(4-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) 4.88 10.72 -22.68 1 8 0 91 471.542 7 ↓

Analogs

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Popular Name: methyl 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) 4.93 12.75 -23.64 1 8 0 98 469.526 7 ↓

Analogs

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Popular Name: methyl 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) 5.07 13.08 -20.3 1 8 0 98 469.526 7 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]aceta N-(2,5-dimethoxyphenyl)-2-[[6-(4…

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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) 4.86 10.18 -22.87 1 9 0 100 501.568 8 ↓

Analogs

9707476
9707476

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[[6-(p-tolyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]acetamide N-(3,4-dimethoxyphenyl)-2-[[6-(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) 4.86 11.99 -23.59 1 8 0 91 485.569 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[5,4-a]phthalazin-3-yl]sulfanyl]aceta N-(3,4-dimethoxyphenyl)-2-[[6-(4…

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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) 4.47 10.64 -24.62 1 9 0 100 501.568 8 ↓

Analogs

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Popular Name: N-(4-acetamidophenyl)-2-[(6-phenyl-[1,2,4]triazolo[5,4-a]phthalazin-3-yl)sulfanyl]acetamide N-(4-acetamidophenyl)-2-[(6-phen…

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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) 3.98 10.98 -27.47 2 8 0 101 468.542 6 ↓

Parameters Provided:

ring.id = 7876
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 = 7876 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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