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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 7-methyl-2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]pyrido[2,1-b]pyrimidin-4-one 7-methyl-2-[[4-(2-methylpropanoy…

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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) 1.83 6.67 -18.31 0 6 0 58 328.416 3 ↓

Analogs

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Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[4-(2,2-difluoroethyl)piperaz…

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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) 1.96 5.51 -36.04 1 5 1 42 323.367 4 ↓
Mid Mid (pH 6-8) 1.96 5.1 -15.06 0 5 0 41 322.359 4 ↓
Lo Low (pH 4.5-6) 1.96 7.62 -90.29 2 5 2 43 324.375 4 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.58 -92.64 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 3.98 -11.05 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.32 -44.91 2 5 1 54 287.387 2 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.87 -91.48 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 4.52 -10.85 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.69 -47.27 2 5 1 54 287.387 2 ↓

Analogs

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Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.52 -88.34 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 3.95 -10.91 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.13 -46.39 2 5 1 54 287.387 2 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.71 -92.04 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 4.16 -11.76 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.51 -46.05 2 5 1 54 287.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.99 -90.79 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 4.72 -11.59 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.88 -48.31 2 5 1 54 287.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.65 -87.59 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 4.15 -11.59 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.33 -47.07 2 5 1 54 287.387 2 ↓

Analogs

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Popular Name: 7-chloro-2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[[(2S,6R)-2,6-dimethy…

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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) 1.68 5.1 -45.77 2 5 1 54 307.805 2 ↓
Hi High (pH 8-9.5) 1.68 3.74 -9.29 1 5 0 50 306.797 2 ↓
Mid Mid (pH 6-8) 1.68 5.35 -98.41 3 5 2 55 308.813 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[[(2S,6S)-2,6-dimethy…

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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) 1.68 5.5 -47.68 2 5 1 54 307.805 2 ↓
Hi High (pH 8-9.5) 1.68 4.36 -9.31 1 5 0 50 306.797 2 ↓
Mid Mid (pH 6-8) 1.68 5.72 -96.68 3 5 2 55 308.813 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-chloro-2-[[(2R,6R)-2,6-dimethy…

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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) 1.68 4.96 -46.24 2 5 1 54 307.805 2 ↓
Hi High (pH 8-9.5) 1.68 3.79 -8.91 1 5 0 50 306.797 2 ↓
Mid Mid (pH 6-8) 1.68 5.36 -93.35 3 5 2 55 308.813 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.58 -94.73 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 3.96 -11.63 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.31 -46.01 2 5 1 54 287.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.86 -93.48 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 4.5 -11.41 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.67 -48.36 2 5 1 54 287.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 1.45 5.51 -90.12 3 5 2 55 288.395 2 ↓
Hi High (pH 8-9.5) 1.45 3.94 -11.39 1 5 0 50 286.379 2 ↓
Mid Mid (pH 6-8) 1.45 5.11 -47.14 2 5 1 54 287.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 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) 1.05 4.84 -95.36 3 5 2 55 274.368 2 ↓
Hi High (pH 8-9.5) 1.05 3.24 -12.15 1 5 0 50 272.352 2 ↓
Mid Mid (pH 6-8) 1.05 4.58 -46.41 2 5 1 54 273.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 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) 1.05 5.22 -93.78 3 5 2 55 274.368 2 ↓
Hi High (pH 8-9.5) 1.05 3.86 -12.17 1 5 0 50 272.352 2 ↓
Mid Mid (pH 6-8) 1.05 5 -48.76 2 5 1 54 273.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 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) 1.05 4.86 -90.43 3 5 2 55 274.368 2 ↓
Hi High (pH 8-9.5) 1.05 3.28 -12.12 1 5 0 50 272.352 2 ↓
Mid Mid (pH 6-8) 1.05 4.46 -47.53 2 5 1 54 273.36 2 ↓

Analogs

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Popular Name: 7-bromo-2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-bromo-2-[[(2S,6R)-2,6-dimethyl…

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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) 1.81 5.19 -45.27 2 5 1 54 352.256 2 ↓
Hi High (pH 8-9.5) 1.81 3.85 -8.82 1 5 0 50 351.248 2 ↓
Mid Mid (pH 6-8) 1.81 5.46 -98.13 3 5 2 55 353.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-bromo-2-[[(2S,6S)-2,6-dimethyl…

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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) 1.81 5.61 -47.26 2 5 1 54 352.256 2 ↓
Hi High (pH 8-9.5) 1.81 4.47 -8.84 1 5 0 50 351.248 2 ↓
Mid Mid (pH 6-8) 1.81 5.83 -96.38 3 5 2 55 353.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 7-bromo-2-[[(2R,6R)-2,6-dimethyl…

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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) 1.81 5.07 -45.75 2 5 1 54 352.256 2 ↓
Hi High (pH 8-9.5) 1.81 3.89 -8.56 1 5 0 50 351.248 2 ↓
Mid Mid (pH 6-8) 1.81 5.47 -93.16 3 5 2 55 353.264 2 ↓

Analogs

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Popular Name: 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[4-(2-ethoxyethyl)piperazin-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) 1.75 7.62 -85.48 2 6 2 53 332.448 6 ↓
Hi High (pH 8-9.5) 1.75 4.94 -13.22 0 6 0 50 330.432 6 ↓
Mid Mid (pH 6-8) 1.75 7.26 -41.33 1 6 1 51 331.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[4-(2-methoxyethyl)piperazin-…

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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 6.68 -85.13 2 6 2 53 318.421 5 ↓
Hi High (pH 8-9.5) 1.37 4.03 -13.28 0 6 0 50 316.405 5 ↓
Mid Mid (pH 6-8) 1.37 4.34 -32.76 1 6 1 51 317.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 2.24 8.04 -82.65 2 6 2 53 346.475 6 ↓
Hi High (pH 8-9.5) 2.24 5.52 -13.01 0 6 0 50 344.459 6 ↓
Mid Mid (pH 6-8) 2.24 7.68 -39.65 1 6 1 51 345.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 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) 2.24 7.81 -84.91 2 6 2 53 346.475 6 ↓
Hi High (pH 8-9.5) 2.24 5.72 -12.92 0 6 0 50 344.459 6 ↓
Mid Mid (pH 6-8) 2.24 5.62 -32.83 1 6 1 51 345.467 6 ↓

Parameters Provided:

ring.id = 43116
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 43116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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