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Analogs

12455286
12455286
14958038
14958038
20272268
20272268

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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 -2.8 -58.28 1 6 1 68 429.628 8 ↓

Analogs

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Popular Name: 2-(1-piperidylsulfonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-(1-piperidylsulfonyl)-4,5,6,7-…

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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) 1.37 4.86 -94.81 2 6 0 94 330.431 3 ↓
Hi High (pH 8-9.5) 1.37 3.51 -68.83 1 6 -1 90 329.423 3 ↓

Analogs

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Popular Name: 2-[(4,4-difluoro-1-piperidyl)sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[(4,4-difluoro-1-piperidyl)sul…

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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) 1.51 4.86 -88.48 2 6 0 94 366.411 3 ↓
Hi High (pH 8-9.5) 1.51 3.47 -60.75 1 6 -1 90 365.403 3 ↓

Analogs

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Popular Name: 2-[[(3S)-3-carbamoyl-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(3S)-3-carbamoyl-1-piperidyl…

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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) -0.03 1.38 -104.43 4 8 0 137 373.456 4 ↓
Hi High (pH 8-9.5) -0.03 0.02 -76.35 3 8 -1 133 372.448 4 ↓

Analogs

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Popular Name: 2-[[(3R)-3-carbamoyl-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(3R)-3-carbamoyl-1-piperidyl…

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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) -0.03 1.49 -96.74 4 8 0 137 373.456 4 ↓
Hi High (pH 8-9.5) -0.03 0.13 -72.93 3 8 -1 133 372.448 4 ↓

Analogs

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Popular Name: 2-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[4-(hydroxymethyl)-1-piperidy…

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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) 0.61 2.14 -91.27 3 7 0 114 360.457 4 ↓
Hi High (pH 8-9.5) 0.61 0.75 -64.53 2 7 -1 110 359.449 4 ↓

Analogs

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Popular Name: 2-[[4-(ethoxymethyl)-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[4-(ethoxymethyl)-1-piperidyl…

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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) 1.60 5.51 -94.34 2 7 0 103 388.511 6 ↓
Hi High (pH 8-9.5) 1.60 4.17 -68.42 1 7 -1 99 387.503 6 ↓

Analogs

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Popular Name: 2-[(4-allyl-4-methoxy-1-piperidyl)sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[(4-allyl-4-methoxy-1-piperidy…

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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) 1.82 5.56 -91.15 2 7 0 103 400.522 6 ↓
Hi High (pH 8-9.5) 1.82 4.2 -66.38 1 7 -1 99 399.514 6 ↓

Analogs

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Popular Name: 2-[[(3R)-3-propoxy-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(3R)-3-propoxy-1-piperidyl]s…

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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) 1.72 5.48 -93.74 2 7 0 103 388.511 6 ↓
Hi High (pH 8-9.5) 1.72 4.14 -67.21 1 7 -1 99 387.503 6 ↓

Analogs

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Popular Name: 2-[[(3S)-3-propoxy-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(3S)-3-propoxy-1-piperidyl]s…

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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) 1.72 5.59 -92.86 2 7 0 103 388.511 6 ↓
Hi High (pH 8-9.5) 1.72 4.24 -67.28 1 7 -1 99 387.503 6 ↓

Analogs

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Popular Name: 2-[(4-isopropyl-1-piperidyl)sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[(4-isopropyl-1-piperidyl)sulf…

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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) 3.12 6.56 -94.78 2 6 0 94 372.512 4 ↓
Hi High (pH 8-9.5) 3.12 5.2 -68.52 1 6 -1 90 371.504 4 ↓

Analogs

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Popular Name: 2-[(4-carboxy-1-piperidyl)sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[(4-carboxy-1-piperidyl)sulfon…

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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) 0.48 5.4 -137.23 2 8 -1 134 373.432 4 ↓
Hi High (pH 8-9.5) 0.48 4.02 -116.23 1 8 -2 130 372.424 4 ↓

Analogs

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Popular Name: 2-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(3R)-3-methyl-1-piperidyl]su…

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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) 1.61 5.34 -93.23 2 6 0 94 344.458 3 ↓
Hi High (pH 8-9.5) 1.61 3.99 -67.96 1 6 -1 90 343.45 3 ↓

Analogs

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Popular Name: 2-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(3S)-3-methyl-1-piperidyl]su…

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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) 1.61 5.45 -94.93 2 6 0 94 344.458 3 ↓
Hi High (pH 8-9.5) 1.61 4.09 -68.93 1 6 -1 90 343.45 3 ↓

Analogs

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Popular Name: 2-[[(2R)-2-ethyl-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(2R)-2-ethyl-1-piperidyl]sul…

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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) 2.24 5.87 -93.86 2 6 0 94 358.485 4 ↓
Hi High (pH 8-9.5) 2.24 4.51 -69.24 1 6 -1 90 357.477 4 ↓

Analogs

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Popular Name: 2-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(2S)-2-ethyl-1-piperidyl]sul…

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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) 2.24 6.1 -95.39 2 6 0 94 358.485 4 ↓
Hi High (pH 8-9.5) 2.24 4.75 -70.15 1 6 -1 90 357.477 4 ↓

Parameters Provided:

ring.id = 84852
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 = 84852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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