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Analogs

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Popular Name: 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic 2-[2-(4-fluorophenyl)sulfanyleth…

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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) 3.38 9.54 -46.6 0 3 -1 53 308.379 6 ↓

Analogs

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Popular Name: 2-[2-(p-tolylsulfanyl)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(p-tolylsulfanyl)ethylsulfa…

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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) 4.01 10.27 -45.28 0 3 -1 53 304.416 6 ↓

Analogs

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Popular Name: 2-[2-(2-fluorophenyl)sulfanylethylsulfanyl]pyridine-4-carboxylic 2-[2-(2-fluorophenyl)sulfanyleth…

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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) 3.67 9.64 -47.07 0 3 -1 53 308.379 6 ↓

Analogs

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Popular Name: 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridine-4-carboxylic 2-[2-(4-fluorophenyl)sulfanyleth…

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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) 3.72 9.66 -44.93 0 3 -1 53 308.379 6 ↓

Analogs

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Popular Name: 2-(2-phenylsulfanylethylsulfanyl)pyridine-4-carboxylic 2-(2-phenylsulfanylethylsulfanyl…

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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 9.59 -45.34 0 3 -1 53 290.389 6 ↓

Analogs

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Popular Name: 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]pyridin-3-amine 2-[2-[3-(trifluoromethyl)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) 4.00 8 -7.35 2 2 0 39 330.4 6 ↓

Analogs

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Popular Name: 2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine 2-[2-(4-fluorophenyl)sulfanyleth…

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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 7.05 -6.34 2 2 0 39 280.393 5 ↓
Lo Low (pH 4.5-6) 3.29 7.46 -32.31 3 2 1 40 281.401 5 ↓

Analogs

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Popular Name: 2-[2-(2-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine 2-[2-(2-fluorophenyl)sulfanyleth…

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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) 3.25 7.03 -8.73 2 2 0 39 280.393 5 ↓
Lo Low (pH 4.5-6) 3.25 7.44 -32.41 3 2 1 40 281.401 5 ↓

Analogs

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Popular Name: 2-[2-(p-tolylsulfanyl)ethylsulfanyl]pyridin-3-amine 2-[2-(p-tolylsulfanyl)ethylsulfa…

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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) 3.58 7.66 -6.5 2 2 0 39 276.43 5 ↓

Analogs

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Popular Name: 2-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]pyridin-3-amine 2-[2-(2,5-dichlorophenyl)sulfany…

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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) 4.41 7.96 -6.17 2 2 0 39 331.293 5 ↓

Analogs

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Popular Name: 6-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]pyridin-3-amine 6-[2-[3-(trifluoromethyl)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) 4.22 7.93 -7.18 2 2 0 39 330.4 6 ↓

Analogs

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Popular Name: 6-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine 6-[2-(4-fluorophenyl)sulfanyleth…

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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) 3.51 6.98 -6.29 2 2 0 39 280.393 5 ↓
Lo Low (pH 4.5-6) 3.51 7.39 -31.45 3 2 1 40 281.401 5 ↓

Analogs

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Popular Name: 6-[2-(2-fluorophenyl)sulfanylethylsulfanyl]pyridin-3-amine 6-[2-(2-fluorophenyl)sulfanyleth…

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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) 3.46 6.96 -8.61 2 2 0 39 280.393 5 ↓
Lo Low (pH 4.5-6) 3.46 7.37 -31.51 3 2 1 40 281.401 5 ↓

Analogs

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Popular Name: 6-[2-(p-tolylsulfanyl)ethylsulfanyl]pyridin-3-amine 6-[2-(p-tolylsulfanyl)ethylsulfa…

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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) 3.80 7.59 -6.53 2 2 0 39 276.43 5 ↓

Analogs

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Popular Name: 6-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]pyridin-3-amine 6-[2-(2,5-dichlorophenyl)sulfany…

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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) 4.63 7.89 -6.18 2 2 0 39 331.293 5 ↓

Analogs

335060
335060
1396774
1396774

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Popular Name: 6-[2-(p-tolylsulfanyl)ethylsulfanyl]pyridine-3-carboxylic 6-[2-(p-tolylsulfanyl)ethylsulfa…

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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) 3.72 10.25 -45.44 0 3 -1 53 304.416 6 ↓

Analogs

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Popular Name: 6-[2-(2-fluorophenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic 6-[2-(2-fluorophenyl)sulfanyleth…

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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 9.63 -48.13 0 3 -1 53 308.379 6 ↓

Analogs

335060
335060

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Popular Name: 6-[2-(4-fluorophenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic 6-[2-(4-fluorophenyl)sulfanyleth…

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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) 3.44 9.65 -44.9 0 3 -1 53 308.379 6 ↓

Analogs

335060
335060
1396774
1396774

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Popular Name: 6-(2-phenylsulfanylethylsulfanyl)pyridine-3-carboxylic 6-(2-phenylsulfanylethylsulfanyl…

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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) 3.27 9.58 -45.5 0 3 -1 53 290.389 6 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(2-phenylsulfanylethylsulfanyl)pyridine-3-carboxylic 4,6-dimethyl-2-(2-phenylsulfanyl…

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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) 4.04 10.86 -54.03 0 3 -1 53 318.443 6 ↓
Lo Low (pH 4.5-6) 4.04 11.22 -45.53 1 3 0 54 319.451 6 ↓

Parameters Provided:

ring.id = 125077
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 = 125077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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