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

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-carboxylic (2R,5S)-5-[[cyclobutylmethyl(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) 0.99 7.92 -57.94 1 4 0 54 227.304 5 ↓
Hi High (pH 8-9.5) 0.99 5.51 -50.34 0 4 -1 53 226.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-carboxylic (2R,5R)-5-[[cyclobutylmethyl(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) 0.99 7.87 -56 1 4 0 54 227.304 5 ↓
Hi High (pH 8-9.5) 0.99 5.48 -50.79 0 4 -1 53 226.296 5 ↓

Analogs

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Popular Name: 1-[(2S,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5R)-5-[[cyclobutylmethyl(…

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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) 1.53 6.51 -90.14 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.53 4.1 -34.1 2 3 1 29 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5R)-5-[[cyclobutylmethyl(…

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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) 1.53 6.58 -90.45 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.53 4.23 -33.59 2 3 1 29 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5S)-5-[[cyclobutylmethyl(…

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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) 1.53 6.63 -89.97 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.53 4.21 -33.63 2 3 1 29 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-[[cyclobutylmethyl(…

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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) 1.53 6.51 -90.55 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.53 4.48 -35.06 2 3 1 29 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-[[cyclobutylmethyl…

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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) 1.56 7.37 -89.92 3 3 2 30 242.407 7 ↓
Hi High (pH 8-9.5) 1.56 4.96 -33.35 2 3 1 29 241.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-[[cyclobutylmethyl…

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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) 1.56 7.43 -90.41 3 3 2 30 242.407 7 ↓
Hi High (pH 8-9.5) 1.56 5.04 -32.83 2 3 1 29 241.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-[[cyclobutylmethyl…

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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) 1.56 7.48 -89.82 3 3 2 30 242.407 7 ↓
Hi High (pH 8-9.5) 1.56 5.06 -32.97 2 3 1 29 241.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-[[cyclobutylmethyl…

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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) 1.56 7.43 -89.87 3 3 2 30 242.407 7 ↓
Hi High (pH 8-9.5) 1.56 5.02 -33.03 2 3 1 29 241.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-[[cyclobutylmethyl…

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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) 2.06 8.12 -91.48 3 3 2 30 256.434 8 ↓
Hi High (pH 8-9.5) 2.06 5.71 -34.16 2 3 1 29 255.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-[[cyclobutylmethyl…

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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) 2.06 8.3 -91.83 3 3 2 30 256.434 8 ↓
Hi High (pH 8-9.5) 2.06 5.91 -33.74 2 3 1 29 255.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-[[cyclobutylmethyl…

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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) 2.06 8.23 -91.36 3 3 2 30 256.434 8 ↓
Hi High (pH 8-9.5) 2.06 5.82 -33.72 2 3 1 29 255.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-[[cyclobutylmethyl…

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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) 2.06 8.18 -91.49 3 3 2 30 256.434 8 ↓
Hi High (pH 8-9.5) 2.06 5.77 -33.86 2 3 1 29 255.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5R)-5-[[cyclobutylmethyl…

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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) 2.21 7.89 -89.36 3 3 2 30 256.434 7 ↓
Hi High (pH 8-9.5) 2.21 5.48 -31.81 2 3 1 29 255.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5R)-5-[[cyclobutylmethyl…

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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) 2.21 7.97 -89.83 3 3 2 30 256.434 7 ↓
Hi High (pH 8-9.5) 2.21 5.57 -31.82 2 3 1 29 255.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5S)-5-[[cyclobutylmethyl…

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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) 2.21 8 -89.34 3 3 2 30 256.434 7 ↓
Hi High (pH 8-9.5) 2.21 5.59 -31.55 2 3 1 29 255.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-[[cyclobutylmethyl…

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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) 2.21 7.96 -89.27 3 3 2 30 256.434 7 ↓
Hi High (pH 8-9.5) 2.21 5.55 -32.06 2 3 1 29 255.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2- N-[[(2S,5R)-5-[[cyclobutylmethyl…

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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) 2.72 8.39 -88.12 3 3 2 30 270.461 7 ↓
Hi High (pH 8-9.5) 2.72 6.01 -31.02 2 3 1 29 269.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2- N-[[(2R,5R)-5-[[cyclobutylmethyl…

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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) 2.72 8.51 -89.03 3 3 2 30 270.461 7 ↓
Hi High (pH 8-9.5) 2.72 6.12 -30.35 2 3 1 29 269.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2- N-[[(2S,5S)-5-[[cyclobutylmethyl…

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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) 2.72 8.43 -88.51 3 3 2 30 270.461 7 ↓
Hi High (pH 8-9.5) 2.72 6.01 -30.5 2 3 1 29 269.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2- N-[[(2R,5S)-5-[[cyclobutylmethyl…

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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) 2.72 8.39 -88.58 3 3 2 30 270.461 7 ↓
Hi High (pH 8-9.5) 2.72 5.98 -30.5 2 3 1 29 269.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1- N-[[(2S,5R)-5-[[cyclobutylmethyl…

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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) 2.30 8.8 -92.14 3 3 2 30 270.461 8 ↓
Hi High (pH 8-9.5) 2.30 6.39 -34.28 2 3 1 29 269.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1- N-[[(2R,5R)-5-[[cyclobutylmethyl…

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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) 2.30 9 -92.51 3 3 2 30 270.461 8 ↓
Hi High (pH 8-9.5) 2.30 6.59 -33.64 2 3 1 29 269.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1- N-[[(2S,5S)-5-[[cyclobutylmethyl…

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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) 2.30 8.91 -92.12 3 3 2 30 270.461 8 ↓
Hi High (pH 8-9.5) 2.30 6.51 -33.83 2 3 1 29 269.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1- N-[[(2R,5S)-5-[[cyclobutylmethyl…

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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) 2.30 8.88 -92.03 3 3 2 30 270.461 8 ↓
Hi High (pH 8-9.5) 2.30 6.45 -33.76 2 3 1 29 269.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5R)-5-(aminomethyl)tetrahydrofuran-2-yl]-N-(cyclobutylmethyl)-N-methyl-methanamine 1-[(2S,5R)-5-(aminomethyl)tetrah…

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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) 0.55 4.67 -94.77 4 3 2 41 214.353 5 ↓
Hi High (pH 8-9.5) 0.55 2.64 -39.34 3 3 1 40 213.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5R)-5-(aminomethyl)tetrahydrofuran-2-yl]-N-(cyclobutylmethyl)-N-methyl-methanamine 1-[(2R,5R)-5-(aminomethyl)tetrah…

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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) 0.55 4.82 -95.14 4 3 2 41 214.353 5 ↓
Hi High (pH 8-9.5) 0.55 2.46 -38.44 3 3 1 40 213.345 5 ↓

Parameters Provided:

ring.id = 219283
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 = 219283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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