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Analogs

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Popular Name: (2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexanone (2S)-2-(6,8-dihydro-5H-imidazo[1…

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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) 0.72 6.59 -30.36 1 4 1 39 234.323 2 ↓
Hi High (pH 8-9.5) 0.72 6.12 -9.93 0 4 0 38 233.315 2 ↓

Analogs

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Popular Name: (2R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexanone (2R)-2-(6,8-dihydro-5H-imidazo[1…

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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) 0.72 6.22 -31.82 1 4 1 39 234.323 2 ↓
Hi High (pH 8-9.5) 0.72 5.75 -9.2 0 4 0 38 233.315 2 ↓

Analogs

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Popular Name: (2S,4R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-methyl-cyclohexanone (2S,4R)-2-(6,8-dihydro-5H-imidaz…

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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) 0.72 7.21 -30.44 1 4 1 39 248.35 2 ↓
Hi High (pH 8-9.5) 0.72 6.74 -9.77 0 4 0 38 247.342 2 ↓

Analogs

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Popular Name: (2S,4S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-methyl-cyclohexanone (2S,4S)-2-(6,8-dihydro-5H-imidaz…

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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) 0.72 6.49 -31.19 1 4 1 39 248.35 2 ↓
Hi High (pH 8-9.5) 0.72 6.02 -13.98 0 4 0 38 247.342 2 ↓

Analogs

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Popular Name: (2R,4R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-methyl-cyclohexanone (2R,4R)-2-(6,8-dihydro-5H-imidaz…

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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) 0.72 6.61 -31.71 1 4 1 39 248.35 2 ↓
Hi High (pH 8-9.5) 0.72 6.14 -8.91 0 4 0 38 247.342 2 ↓

Analogs

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Popular Name: (2R,4S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-methyl-cyclohexanone (2R,4S)-2-(6,8-dihydro-5H-imidaz…

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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) 0.72 6.82 -31.9 1 4 1 39 248.35 2 ↓
Hi High (pH 8-9.5) 0.72 6.35 -8.98 0 4 0 38 247.342 2 ↓

Analogs

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Popular Name: (2S,4R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-ethyl-cyclohexanone (2S,4R)-2-(6,8-dihydro-5H-imidaz…

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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) 1.41 7.85 -30.51 1 4 1 39 262.377 3 ↓
Hi High (pH 8-9.5) 1.41 7.38 -9.67 0 4 0 38 261.369 3 ↓

Analogs

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Popular Name: (2S,4S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-ethyl-cyclohexanone (2S,4S)-2-(6,8-dihydro-5H-imidaz…

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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) 1.41 7.13 -31.24 1 4 1 39 262.377 3 ↓
Hi High (pH 8-9.5) 1.41 6.66 -13.88 0 4 0 38 261.369 3 ↓

Analogs

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Popular Name: (2R,4R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-ethyl-cyclohexanone (2R,4R)-2-(6,8-dihydro-5H-imidaz…

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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) 1.41 7.18 -32.66 1 4 1 39 262.377 3 ↓
Hi High (pH 8-9.5) 1.41 6.72 -10.85 0 4 0 38 261.369 3 ↓

Analogs

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Popular Name: (2R,4S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-ethyl-cyclohexanone (2R,4S)-2-(6,8-dihydro-5H-imidaz…

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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) 1.41 7.45 -32.06 1 4 1 39 262.377 3 ↓
Hi High (pH 8-9.5) 1.41 6.98 -8.95 0 4 0 38 261.369 3 ↓

Analogs

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Popular Name: (2S,4R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-propyl-cyclohexanone (2S,4R)-2-(6,8-dihydro-5H-imidaz…

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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) 1.97 8.6 -30.65 1 4 1 39 276.404 4 ↓
Hi High (pH 8-9.5) 1.97 8.14 -9.68 0 4 0 38 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-propyl-cyclohexanone (2S,4S)-2-(6,8-dihydro-5H-imidaz…

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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) 1.97 7.88 -31.4 1 4 1 39 276.404 4 ↓
Hi High (pH 8-9.5) 1.97 7.42 -13.96 0 4 0 38 275.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-propyl-cyclohexanone (2R,4R)-2-(6,8-dihydro-5H-imidaz…

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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) 1.97 7.94 -32.89 1 4 1 39 276.404 4 ↓
Hi High (pH 8-9.5) 1.97 7.47 -10.88 0 4 0 38 275.396 4 ↓

Analogs

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Popular Name: (2R,4S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-propyl-cyclohexanone (2R,4S)-2-(6,8-dihydro-5H-imidaz…

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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) 1.97 8.21 -32.14 1 4 1 39 276.404 4 ↓
Hi High (pH 8-9.5) 1.97 7.75 -8.92 0 4 0 38 275.396 4 ↓

Analogs

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Popular Name: (2S,4R)-4-tert-butyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexanone (2S,4R)-4-tert-butyl-2-(6,8-dihy…

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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 8.6 -30.74 1 4 1 39 290.431 3 ↓
Hi High (pH 8-9.5) 2.05 8.14 -9.56 0 4 0 38 289.423 3 ↓

Analogs

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Popular Name: (2S,4S)-4-tert-butyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexanone (2S,4S)-4-tert-butyl-2-(6,8-dihy…

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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 7.89 -31.5 1 4 1 39 290.431 3 ↓
Hi High (pH 8-9.5) 2.05 7.43 -13.79 0 4 0 38 289.423 3 ↓

Analogs

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Popular Name: (2R,4R)-4-tert-butyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexanone (2R,4R)-4-tert-butyl-2-(6,8-dihy…

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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 7.95 -32.92 1 4 1 39 290.431 3 ↓
Hi High (pH 8-9.5) 2.05 7.48 -10.66 0 4 0 38 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-tert-butyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexanone (2R,4S)-4-tert-butyl-2-(6,8-dihy…

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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 8.2 -32.34 1 4 1 39 290.431 3 ↓
Hi High (pH 8-9.5) 2.05 7.74 -8.77 0 4 0 38 289.423 3 ↓

Analogs

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Popular Name: (2S,4R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-isopropyl-cyclohexanone (2S,4R)-2-(6,8-dihydro-5H-imidaz…

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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) 2.23 8.32 -30.6 1 4 1 39 276.404 3 ↓
Hi High (pH 8-9.5) 2.23 7.86 -9.63 0 4 0 38 275.396 3 ↓

Analogs

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Popular Name: (2S,4S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-isopropyl-cyclohexanone (2S,4S)-2-(6,8-dihydro-5H-imidaz…

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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) 2.23 7.61 -31.42 1 4 1 39 276.404 3 ↓
Hi High (pH 8-9.5) 2.23 7.15 -13.74 0 4 0 38 275.396 3 ↓

Analogs

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Popular Name: (2R,4R)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-isopropyl-cyclohexanone (2R,4R)-2-(6,8-dihydro-5H-imidaz…

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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) 2.23 7.67 -32.77 1 4 1 39 276.404 3 ↓
Hi High (pH 8-9.5) 2.23 7.2 -10.72 0 4 0 38 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-isopropyl-cyclohexanone (2R,4S)-2-(6,8-dihydro-5H-imidaz…

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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) 2.23 7.94 -32.14 1 4 1 39 276.404 3 ↓
Hi High (pH 8-9.5) 2.23 7.47 -8.83 0 4 0 38 275.396 3 ↓

Parameters Provided:

ring.id = 99060
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 = 99060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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