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Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxami N-(5-fluoro-2-methyl-phenyl)-5,5…

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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) 2.91 6.9 -19.72 1 6 0 81 399.447 3 ↓

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(2,6-dimethylphenyl)-5,5-dioxo…

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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) 2.23 7.64 -18.28 1 6 0 81 395.484 3 ↓

Analogs

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Popular Name: N-(4-cyanophenyl)-5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(4-cyanophenyl)-5,5-dioxo-1-ph…

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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) 2.12 6.31 -19.28 1 7 0 105 392.44 3 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(2-chlorophenyl)-5,5-dioxo-1-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) 3.00 6.53 -17.21 1 6 0 81 401.875 3 ↓

Analogs

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Popular Name: N-(4-cyanophenyl)-1-(2-fluorophenyl)-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamid N-(4-cyanophenyl)-1-(2-fluorophe…

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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) 2.45 6.46 -21.78 1 7 0 105 410.43 3 ↓

Parameters Provided:

ring.id = 519723
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 = 519723 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=519723&filter.purchasability=annotated

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