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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z,6S)-N-(2,5-dichlorophenyl)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazono]-4-oxo-1,3-thiazinane-6 (2Z,6S)-N-(2,5-dichlorophenyl)-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) 4.00 8.55 -11.88 2 7 0 92 465.362 5 ↓

Analogs

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Popular Name: (2Z,6R)-N-(2,5-dichlorophenyl)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazono]-4-oxo-1,3-thiazinane-6 (2Z,6R)-N-(2,5-dichlorophenyl)-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) 4.00 8.55 -11.86 2 7 0 92 465.362 5 ↓

Analogs

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Popular Name: (2Z,6R)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazono]-N-(3-nitrophenyl)-4-oxo-1,3-thiazinane-6-carb (2Z,6R)-2-[(E)-1-(4-methoxypheny…

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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) 2.65 8.07 -15.41 2 10 0 138 441.469 6 ↓

Analogs

33752571
33752571
33752572
33752572

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Popular Name: 3-[[(2Z,6R)-4-oxo-2-((Z)-1-phenylpentylidenehydrazono)1,3-thiazinane-6-carbonyl]amino]benzoic 3-[[(2Z,6R)-4-oxo-2-((Z)-1-pheny…

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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) 4.11 11.02 -63.78 2 8 -1 123 451.528 8 ↓

Analogs

4871936
4871936

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Popular Name: (2Z,6R)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazono]-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-car (2Z,6R)-2-[(Z)-1-(4-fluorophenyl…

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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) 2.86 7.61 -15.9 2 7 0 92 414.462 5 ↓

Analogs

8916083
8916083
8916084
8916084

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Popular Name: (2Z,6S)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazono]-N-(4-hexoxyphenyl)-4-oxo-1,3-thiazinane-6-carb (2Z,6S)-2-[(Z)-1-(4-fluorophenyl…

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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) 5.33 11.69 -13.7 2 7 0 92 484.597 10 ↓

Analogs

9762232
9762232

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Popular Name: (2Z,6R)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazono]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-car (2Z,6R)-2-[(Z)-1-(4-chlorophenyl…

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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) 3.39 8.18 -13.94 2 7 0 92 430.917 5 ↓

Analogs

9659488
9659488

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Popular Name: (2E,6R)-N-(3-ethoxyphenyl)-2-[(E)-1-(3-fluoro-4-methoxy-phenyl)ethylidenehydrazono]-4-oxo-1,3-thiazi (2E,6R)-N-(3-ethoxyphenyl)-2-[(E…

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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) 3.22 7.81 -20.01 2 8 0 101 458.515 7 ↓

Analogs

9008356
9008356
9216591
9216591

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Popular Name: (2Z,6R)-2-[(Z)-1-(3-bromo-4-methoxy-phenyl)ethylidenehydrazono]-N-(4-chlorophenyl)-4-oxo-1,3-thiazin (2Z,6R)-2-[(Z)-1-(3-bromo-4-meth…

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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) 4.13 8.87 -14.59 2 7 0 92 509.813 5 ↓
Hi High (pH 8-9.5) 4.13 7.82 -44.41 1 7 -1 94 508.805 6 ↓
Lo Low (pH 4.5-6) 4.13 8.94 -40.53 3 7 1 94 510.821 6 ↓

Analogs

8836239
8836239
12469554
12469554

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Popular Name: (2Z,6R)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazono]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-car (2Z,6R)-2-[(Z)-1-(4-chlorophenyl…

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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) 3.35 8.35 -12.44 2 7 0 92 430.917 5 ↓

Analogs

36611056
36611056
36611057
36611057

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Popular Name: 4-[[(2Z,6R)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazono]-4-oxo-1,3-thiazinane-6-carbonyl]amino]ben 4-[[(2Z,6R)-2-[(E)-1-(4-methoxyp…

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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) 2.63 7.07 -63.7 2 9 -1 132 439.473 6 ↓

Analogs

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Popular Name: (2Z,6S)-N-(4-butoxyphenyl)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazono]-4-oxo-1,3-thiazinane-6-car (2Z,6S)-N-(4-butoxyphenyl)-2-[(E…

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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) 4.21 9.25 -13.58 2 8 0 101 468.579 9 ↓

Analogs

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Popular Name: (2Z,6R)-N-(4-butoxyphenyl)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazono]-4-oxo-1,3-thiazinane-6-car (2Z,6R)-N-(4-butoxyphenyl)-2-[(E…

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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) 4.21 9.25 -13.24 2 8 0 101 468.579 9 ↓

Analogs

9076177
9076177
12411880
12411880

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Popular Name: (2Z,6S)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazono]-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-car (2Z,6S)-2-[(Z)-1-(4-chlorophenyl…

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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) 4.27 9.79 -13.32 2 7 0 92 458.971 7 ↓

Analogs

9076177
9076177
12411880
12411880

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Popular Name: (2Z,6R)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazono]-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-car (2Z,6R)-2-[(Z)-1-(4-chlorophenyl…

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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) 4.27 9.81 -13.27 2 7 0 92 458.971 7 ↓

Analogs

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Popular Name: (2E,6R)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazono]-N-(2-fluorophenyl)-4-oxo-1,3-thiazinane-6-carb (2E,6R)-2-[(E)-1-(4-chlorophenyl…

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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 8.83 -11.47 2 6 0 83 418.881 4 ↓

Parameters Provided:

ring.id = 145425
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 = 145425 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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