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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8910405
8910405

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Popular Name: 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-2-meth 2-(4-chlorophenoxy)-N-[2-(2,4-di…

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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) 4.54 -2.46 -17.81 1 7 0 90 473.982 5 ↓

Analogs

8910408
8910408

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Popular Name: N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetam N-[2-(2,4-dimethylphenyl)-5,5-di…

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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) 2.66 -2.6 -22.6 1 8 0 100 441.509 6 ↓

Analogs

12033011
12033011
3009711
3009711
8910410
8910410
8910664
8910664

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Popular Name: N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-2-(3-methoxyphenoxy)acetam N-[2-(2,4-dimethylphenyl)-5,5-di…

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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) 3.08 -2.84 -22.91 1 8 0 100 441.509 6 ↓

Analogs

12033013
12033013
12033010
12033010
3009711
3009711
8910664
8910664

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-2-(4-methoxyphenoxy)acetam N-[2-(2,4-dimethylphenyl)-5,5-di…

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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) 3.11 -2.84 -20.82 1 8 0 100 441.509 6 ↓

Analogs

5078021
5078021

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Popular Name: N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-2-(2-methylphenoxy)acetami N-[2-(2,4-dimethylphenyl)-5,5-di…

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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) 3.45 -2.46 -19.18 1 7 0 90 425.51 5 ↓

Analogs

5078025
5078025
12033011
12033011
3009711
3009711

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-2-(3-methylphenoxy)acetami N-[2-(2,4-dimethylphenyl)-5,5-di…

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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) 3.48 -2.54 -20.21 1 7 0 90 425.51 5 ↓

Analogs

5078030
5078030

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Popular Name: N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-2-(4-fluorophenoxy)acetami N-[2-(2,4-dimethylphenyl)-5,5-di…

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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) 3.21 -2.13 -20.73 1 7 0 90 429.473 5 ↓

Parameters Provided:

ring.id = 81808
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 = 81808 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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