UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 0.85 3.07 -21.66 1 7 0 105 330.369 2 ↓

Analogs

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

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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) 1.50 3.55 -20.86 1 6 0 81 319.386 2 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(4-fluorophenyl)-1-methyl-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) 1.26 2.75 -20 1 6 0 81 323.349 2 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(2-methoxyphenyl)-1-methyl-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) 1.10 2.07 -21.54 1 7 0 90 335.385 3 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(3-methoxyphenyl)-1-methyl-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) 1.13 1.97 -23.49 1 7 0 90 335.385 3 ↓

Analogs

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Popular Name: N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3 N-[2-fluoro-5-(trifluoromethyl)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) 2.08 3.78 -20.19 1 6 0 81 391.346 3 ↓

Analogs

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

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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) 2.06 2.47 -20.3 1 7 0 90 389.355 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-(4-chlorophenyl)-1-methyl-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) 1.77 3.21 -19.54 1 6 0 81 339.804 2 ↓

Analogs

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Popular Name: N,1-dimethyl-5,5-dioxo-N-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N,1-dimethyl-5,5-dioxo-N-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) 1.34 4.26 -21.31 0 6 0 72 319.386 2 ↓

Parameters Provided:

ring.id = 519700
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 = 519700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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