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Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 1.20 5.93 -11.18 1 5 0 46 270.402 4 ↓
Mid Mid (pH 6-8) 1.20 8.36 -38.11 2 5 1 47 271.41 4 ↓

Analogs

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Popular Name: 2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2R,6R)-2,6-dimethylmorpholi…

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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) 1.20 6.13 -10.86 1 5 0 46 270.402 4 ↓
Mid Mid (pH 6-8) 1.20 8.07 -37.85 2 5 1 47 271.41 4 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2S,6S)-2,6-dimethylmorpholi…

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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) 1.20 6.12 -10.89 1 5 0 46 270.402 4 ↓
Mid Mid (pH 6-8) 1.20 8.06 -37.98 2 5 1 47 271.41 4 ↓

Analogs

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Popular Name: 2-(morpholinomethyl)-5-propyl-4H-1,2,4-triazole-3-thione 2-(morpholinomethyl)-5-propyl-4H…

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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) 0.47 4.44 -11.28 1 5 0 46 242.348 4 ↓
Mid Mid (pH 6-8) 0.47 6.86 -38.38 2 5 1 47 243.356 4 ↓

Analogs

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Popular Name: 2-[[(2R)-2-methylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2R)-2-methylmorpholin-4-yl]…

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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) 0.84 5.09 -11.17 1 5 0 46 256.375 4 ↓
Mid Mid (pH 6-8) 0.84 7.35 -38.61 2 5 1 47 257.383 4 ↓

Analogs

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Popular Name: 2-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2S)-2-methylmorpholin-4-yl]…

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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) 0.84 5.19 -11.13 1 5 0 46 256.375 4 ↓
Mid Mid (pH 6-8) 0.84 7.61 -38.22 2 5 1 47 257.383 4 ↓

Analogs

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Popular Name: 2-[[(2R)-2-ethylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2R)-2-ethylmorpholin-4-yl]m…

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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) 1.34 5.93 -11.03 1 5 0 46 270.402 5 ↓
Mid Mid (pH 6-8) 1.34 8.17 -39.17 2 5 1 47 271.41 5 ↓

Analogs

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Popular Name: 2-[[(2S)-2-ethylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2S)-2-ethylmorpholin-4-yl]m…

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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) 1.34 6.03 -10.93 1 5 0 46 270.402 5 ↓
Mid Mid (pH 6-8) 1.34 8.44 -38.75 2 5 1 47 271.41 5 ↓

Analogs

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Popular Name: 2-[[(2S,5S)-2,5-dimethylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2S,5S)-2,5-dimethylmorpholi…

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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) 1.17 5.4 -10.88 1 5 0 46 270.402 4 ↓
Mid Mid (pH 6-8) 1.17 7.63 -37.04 2 5 1 47 271.41 4 ↓

Analogs

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Popular Name: 2-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2R,5S)-2,5-dimethylmorpholi…

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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) 1.17 5.77 -10.64 1 5 0 46 270.402 4 ↓
Mid Mid (pH 6-8) 1.17 8.1 -35.49 2 5 1 47 271.41 4 ↓

Analogs

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Popular Name: 2-[[(3S)-3-methylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(3S)-3-methylmorpholin-4-yl]…

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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) 0.80 5.04 -10.69 1 5 0 46 256.375 4 ↓
Mid Mid (pH 6-8) 0.80 7.34 -35.69 2 5 1 47 257.383 4 ↓

Analogs

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Popular Name: 2-[[(3R)-3-methylmorpholin-4-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(3R)-3-methylmorpholin-4-yl]…

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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) 0.80 4.92 -11.03 1 5 0 46 256.375 4 ↓
Mid Mid (pH 6-8) 0.80 7.09 -35.47 2 5 1 47 257.383 4 ↓

Analogs

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Popular Name: 5-propyl-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]-4H-1,2,4-triazole-3-thione 5-propyl-2-[[(6S)-2,2,6-trimethy…

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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) 1.64 6.76 -10.91 1 5 0 46 284.429 4 ↓
Mid Mid (pH 6-8) 1.64 8.68 -37.68 2 5 1 47 285.437 4 ↓

Analogs

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Popular Name: 5-propyl-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]-4H-1,2,4-triazole-3-thione 5-propyl-2-[[(6R)-2,2,6-trimethy…

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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) 1.64 6.85 -10.78 1 5 0 46 284.429 4 ↓
Mid Mid (pH 6-8) 1.64 8.95 -37.58 2 5 1 47 285.437 4 ↓

Parameters Provided:

ring.id = 164241
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 = 164241 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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