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Analogs

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Popular Name: 1-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-(3-methoxyphenyl)-[1,2,4]triazolo[4,5-a]quinazolin-5-one 1-[2-(azocan-1-yl)-2-oxo-ethyl]s…

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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) 4.59 15.48 -17.63 0 8 0 82 477.59 5 ↓

Analogs

9501446
9501446

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Popular Name: 1-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-(2,4-dimethylphenyl)-[1,2,4]triazolo[4,5-a]quinazolin-5-on 1-[2-(azocan-1-yl)-2-oxo-ethyl]s…

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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) 5.38 17.86 -16.06 0 7 0 73 475.618 4 ↓

Analogs

9558813
9558813
9558890
9558890

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Popular Name: 1-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,5-a]quinazolin-5-on 1-[2-(azocan-1-yl)-2-oxo-ethyl]s…

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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) 5.59 17.87 -16.26 0 7 0 73 475.618 4 ↓

Parameters Provided:

ring.id = 44117
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 = 44117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=44117&filter.purchasability=annotated

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