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

1907897
1907897

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Popular Name: 6-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-2, 6-[(E)-[3-(1,5-dimethyl-3-oxo-2-…

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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) 2.32 -0.11 -65.27 0 9 -1 108 510.573 6 ↓

Analogs

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Popular Name: (2S)-2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]me (2S)-2-[4-[(E)-[3-(1,5-dimethyl-…

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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) 2.74 14 -77.47 0 9 -1 108 538.627 8 ↓

Analogs

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Popular Name: (2R)-2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]me (2R)-2-[4-[(E)-[3-(1,5-dimethyl-…

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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) 2.74 14.04 -76.22 0 9 -1 108 538.627 8 ↓

Analogs

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Popular Name: (2S)-2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]me (2S)-2-[4-[(E)-[3-(1,5-dimethyl-…

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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 13.18 -72.6 0 9 -1 108 524.6 7 ↓

Analogs

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Popular Name: (2R)-2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]me (2R)-2-[4-[(E)-[3-(1,5-dimethyl-…

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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 13.18 -72.39 0 9 -1 108 524.6 7 ↓

Analogs

16915403
16915403

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl] 2-[4-[(E)-[3-(1,5-dimethyl-3-oxo…

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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) 2.25 13.46 -72.47 0 9 -1 108 524.6 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]me (2S)-2-[4-[(E)-[3-(1,5-dimethyl-…

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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) 2.61 14.15 -73.15 0 9 -1 108 538.627 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]me (2R)-2-[4-[(E)-[3-(1,5-dimethyl-…

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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) 2.61 14.11 -72.89 0 9 -1 108 538.627 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]me (2S)-2-[4-[(E)-[3-(1,5-dimethyl-…

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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 14.92 -77.51 0 9 -1 108 552.654 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]me (2R)-2-[4-[(E)-[3-(1,5-dimethyl-…

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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 14.96 -76.26 0 9 -1 108 552.654 9 ↓

Analogs

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Popular Name: 3-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl] 3-[4-[(E)-[3-(1,5-dimethyl-3-oxo…

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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) 2.52 13.74 -70.42 0 9 -1 108 538.627 9 ↓

Parameters Provided:

ring.id = 81260
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 = 81260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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