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Analogs

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Popular Name: 3-chloro-2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]pyridine 3-chloro-2-[[(4S)-1,3-dioxan-4-y…

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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) 2.34 4.82 -7.3 0 3 0 31 245.731 3 ↓

Analogs

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Popular Name: 3-chloro-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]pyridine 3-chloro-2-[[(4R)-1,3-dioxan-4-y…

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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) 2.34 4.84 -7.33 0 3 0 31 245.731 3 ↓

Analogs

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Popular Name: 2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]pyridine-4-carboxylic 2-[[(4S)-1,3-dioxan-4-yl]methyls…

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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) 1.57 4.93 -47.4 0 5 -1 71 254.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]pyridine-4-carboxylic 2-[[(4R)-1,3-dioxan-4-yl]methyls…

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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) 1.57 4.95 -47.56 0 5 -1 71 254.287 4 ↓

Analogs

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Popular Name: 2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]pyridin-3-amine 2-[[(4S)-1,3-dioxan-4-yl]methyls…

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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) 1.15 2.32 -7.44 2 4 0 57 226.301 3 ↓
Lo Low (pH 4.5-6) 1.15 2.74 -31.3 3 4 1 59 227.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]pyridin-3-amine 2-[[(4R)-1,3-dioxan-4-yl]methyls…

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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) 1.15 2.34 -7.44 2 4 0 57 226.301 3 ↓
Lo Low (pH 4.5-6) 1.15 2.76 -31.33 3 4 1 59 227.309 3 ↓

Analogs

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Popular Name: 6-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]pyridin-3-amine 6-[[(4S)-1,3-dioxan-4-yl]methyls…

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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) 1.36 2.26 -7.62 2 4 0 57 226.301 3 ↓
Lo Low (pH 4.5-6) 1.36 2.67 -30.43 3 4 1 59 227.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]pyridin-3-amine 6-[[(4R)-1,3-dioxan-4-yl]methyls…

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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) 1.36 2.27 -7.62 2 4 0 57 226.301 3 ↓
Lo Low (pH 4.5-6) 1.36 2.69 -30.45 3 4 1 59 227.309 3 ↓

Analogs

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Popular Name: 2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[[(4S)-1,3-dioxan-4-yl]methyls…

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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) 2.05 6.2 -57.56 0 5 -1 71 282.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[[(4R)-1,3-dioxan-4-yl]methyls…

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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) 2.05 6.22 -57.67 0 5 -1 71 282.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]pyridine-3-carboxylic 6-[[(4S)-1,3-dioxan-4-yl]methyls…

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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) 1.29 4.92 -46 0 5 -1 71 254.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]pyridine-3-carboxylic 6-[[(4R)-1,3-dioxan-4-yl]methyls…

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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) 1.29 4.94 -46.01 0 5 -1 71 254.287 4 ↓

Parameters Provided:

ring.id = 429909
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 = 429909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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