UCSF
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Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 0.38 5.51 -43.54 2 5 1 50 246.338 2 ↓
Hi High (pH 8-9.5) 0.38 4.19 -14.04 1 5 0 45 245.33 2 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 0.38 5.95 -45.23 2 5 1 50 246.338 2 ↓
Hi High (pH 8-9.5) 0.38 4.77 -13.64 1 5 0 45 245.33 2 ↓

Analogs

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Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 0.38 5.64 -48.85 2 5 1 50 246.338 2 ↓
Hi High (pH 8-9.5) 0.38 4.46 -14.37 1 5 0 45 245.33 2 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 1.04 6.72 -43.27 2 5 1 50 274.392 2 ↓
Hi High (pH 8-9.5) 1.04 5.39 -14 1 5 0 45 273.384 2 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 1.04 7.09 -45.03 2 5 1 50 274.392 2 ↓
Hi High (pH 8-9.5) 1.04 5.92 -13.54 1 5 0 45 273.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 1.04 6.78 -48.81 2 5 1 50 274.392 2 ↓
Hi High (pH 8-9.5) 1.04 5.6 -14.37 1 5 0 45 273.384 2 ↓

Analogs

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Popular Name: 2-[[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine 2-[[(3R)-4-(2-methoxyethyl)-3-me…

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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 8.64 -41.67 1 6 1 47 318.445 5 ↓
Mid Mid (pH 6-8) 1.29 6.46 -15.91 0 6 0 46 317.437 5 ↓
Mid Mid (pH 6-8) 1.29 8.71 -39.4 1 6 1 47 318.445 5 ↓

Analogs

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Popular Name: 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine 2-[[(3R)-3-ethyl-4-(2-methoxyeth…

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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 9.19 -42.02 1 6 1 47 332.472 6 ↓
Mid Mid (pH 6-8) 1.82 7.03 -15.82 0 6 0 46 331.464 6 ↓
Mid Mid (pH 6-8) 1.82 9.28 -39.37 1 6 1 47 332.472 6 ↓

Analogs

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Popular Name: 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine 2-[[(3S)-3-ethyl-4-(2-methoxyeth…

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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 9.19 -37.25 1 6 1 47 332.472 6 ↓
Mid Mid (pH 6-8) 1.82 6.97 -15.29 0 6 0 46 331.464 6 ↓
Mid Mid (pH 6-8) 1.82 9.23 -41.03 1 6 1 47 332.472 6 ↓

Analogs

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Popular Name: 2-[[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]methyl]-5,7-dimethyl-imidazo[1,2-a]pyrimidine 2-[[(3S)-4-(2-ethoxyethyl)-3-met…

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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) 1.66 9.53 -37.43 1 6 1 47 332.472 6 ↓
Mid Mid (pH 6-8) 1.66 7.33 -15.51 0 6 0 46 331.464 6 ↓
Mid Mid (pH 6-8) 1.66 9.56 -41.16 1 6 1 47 332.472 6 ↓

Analogs

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Popular Name: (2R)-1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-3,3-dimethyl-butan-2-ol (2R)-1-[4-[(5,7-dimethylimidazo[…

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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) 2.03 8.42 -41.1 2 6 1 58 346.499 5 ↓
Mid Mid (pH 6-8) 2.03 6.15 -14.79 1 6 0 57 345.491 5 ↓
Mid Mid (pH 6-8) 2.03 8.44 -41.7 2 6 1 58 346.499 5 ↓

Analogs

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Popular Name: (2S)-1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-3,3-dimethyl-butan-2-ol (2S)-1-[4-[(5,7-dimethylimidazo[…

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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) 2.03 8.47 -42.65 2 6 1 58 346.499 5 ↓
Mid Mid (pH 6-8) 2.03 8.45 -43.34 2 6 1 58 346.499 5 ↓
Mid Mid (pH 6-8) 2.03 6.2 -16.15 1 6 0 57 345.491 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-dimethyl-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine 5,7-dimethyl-2-(piperazin-1-ylme…

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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) 0.38 5.79 -49.48 2 5 1 50 246.338 2 ↓

Parameters Provided:

ring.id = 205671
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 = 205671 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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