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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (5E)-5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one (5E)-5-[[3-(4-isobutoxyphenyl)-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) 4.40 13.71 -10.89 0 5 0 49 449.601 6 ↓

Analogs

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Popular Name: 5-[(5Z)-5-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl] 5-[(5Z)-5-[[3-(3,4-dimethylpheny…

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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) 4.34 15.16 -53.78 0 6 -1 80 490.63 8 ↓

Analogs

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Popular Name: 3-[(5Z)-5-[[3-(4-ethylphenyl)-1-(o-tolyl)pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pro 3-[(5Z)-5-[[3-(4-ethylphenyl)-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) 4.26 14.72 -53.11 0 6 -1 80 476.603 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5Z)-5-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl] 3-[(5Z)-5-[[3-(3,4-dimethylpheny…

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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) 3.56 13.56 -53.36 0 6 -1 80 462.576 6 ↓

Analogs

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Popular Name: 4-[(5Z)-5-[[3-(4-ethylphenyl)-1-(o-tolyl)pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]but 4-[(5Z)-5-[[3-(4-ethylphenyl)-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) 4.53 15.51 -54.63 0 6 -1 80 490.63 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5Z)-5-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl] 4-[(5Z)-5-[[3-(3,4-dimethylpheny…

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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) 3.83 14.38 -54.97 0 6 -1 80 476.603 7 ↓

Analogs

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Popular Name: 2-[(5Z)-5-[[3-(4-ethylphenyl)-1-(o-tolyl)pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ace 2-[(5Z)-5-[[3-(4-ethylphenyl)-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) 3.99 14.28 -54.55 0 6 -1 80 462.576 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5Z)-5-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl] 2-[(5Z)-5-[[3-(3,4-dimethylpheny…

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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) 3.29 13.13 -54.62 0 6 -1 80 448.549 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5Z)-5-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl] 2-[(5Z)-5-[[3-(2,5-dimethylpheny…

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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) 3.29 13.39 -54.7 0 6 -1 80 448.549 5 ↓

Analogs

39983130
39983130
1165062
1165062

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Popular Name: 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]acet 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-…

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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) 3.40 12.94 -54.64 0 7 -1 89 478.575 8 ↓

Analogs

19912581
19912581

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Popular Name: 3-[(5Z)-5-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl] 3-[(5Z)-5-[[3-(2,5-dimethylpheny…

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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) 3.56 13.84 -53.1 0 6 -1 80 462.576 6 ↓

Parameters Provided:

ring.id = 95483
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 = 95483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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