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Analogs

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Popular Name: 2-[[5-oxo-4-(p-tolyl)-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanylmethyl]benzonitrile 2-[[5-oxo-4-(p-tolyl)-[1,2,4]tri…

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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 16.9 -19.86 0 6 0 76 423.501 4 ↓

Analogs

10144719
10144719

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Popular Name: 2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanylmethyl]benzonitrile 2-[[4-(2,4-dimethylphenyl)-5-oxo…

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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) 5.41 17.84 -20.05 0 6 0 76 437.528 4 ↓

Analogs

10144719
10144719

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Popular Name: 2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanylmethyl]benzonitrile 2-[[4-(2,6-dimethylphenyl)-5-oxo…

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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) 5.60 17.54 -20.23 0 6 0 76 437.528 4 ↓

Analogs

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Popular Name: (2R)-2-[[4-(2,3-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanyl]-2-phenyl-aceta (2R)-2-[[4-(2,3-dimethylphenyl)-…

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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) 4.40 14.31 -23.12 2 7 0 95 455.543 5 ↓

Analogs

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Popular Name: (2S)-2-[[4-(2,3-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanyl]-2-phenyl-aceta (2S)-2-[[4-(2,3-dimethylphenyl)-…

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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) 4.40 14.27 -25.04 2 7 0 95 455.543 5 ↓

Analogs

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Popular Name: 4-(2,6-dimethylphenyl)-1-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,5-a]quinazolin-5-one 4-(2,6-dimethylphenyl)-1-[(3-flu…

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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) 6.03 17.38 -15.47 0 5 0 52 430.508 4 ↓

Analogs

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Popular Name: 4-[[4-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanylmethyl]benzoic 4-[[4-(4-methoxyphenyl)-5-oxo-[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) 4.64 14.92 -58.48 0 8 -1 102 457.491 6 ↓

Analogs

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Popular Name: 1-[(5-acetyl-2-methoxy-benzyl)thio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(5-acetyl-2-methoxy-benzyl)th…

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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) 4.55 3.35 -21.38 0 7 0 78 456.527 6 ↓

Parameters Provided:

ring.id = 44121
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 = 44121 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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