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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: 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) 1.15 4.24 -12.33 2 6 0 90 312.391 5 ↓

Analogs

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) 1.15 4.24 -12.32 2 6 0 90 312.391 5 ↓

Analogs

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) 1.12 4.23 -12.37 2 6 0 90 312.391 5 ↓

Analogs

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) 1.12 4.23 -12.52 2 6 0 90 312.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3-aminophenyl)methylsulfonyl]piperidine-2-carboxamide (2R)-1-[(3-aminophenyl)methylsul…

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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 0.56 -13.46 4 6 0 106 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(3-aminophenyl)methylsulfonyl]piperidine-2-carboxamide (2S)-1-[(3-aminophenyl)methylsul…

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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 0.53 -13.57 4 6 0 106 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(4-aminophenyl)methylsulfonyl]-4-piperidyl]acetamide 2-[1-[(4-aminophenyl)methylsulfo…

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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) 0.35 0.49 -15.97 4 6 0 106 311.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(3-aminophenyl)methylsulfonyl]-4-piperidyl]acetamide 2-[1-[(3-aminophenyl)methylsulfo…

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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) 0.32 0.48 -15.9 4 6 0 106 311.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-1-[(4-aminophenyl)methylsulfonyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[(4-aminophenyl)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) 0.22 0.23 -15.48 4 6 0 106 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[(4-aminophenyl)methylsulfonyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[(4-aminophenyl)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) 0.22 0.37 -15.68 4 6 0 106 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[(4-aminophenyl)methylsulfonyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[(4-aminophenyl)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) 0.22 0.37 -15.7 4 6 0 106 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[(4-aminophenyl)methylsulfonyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[(4-aminophenyl)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) 0.22 1.15 -22.08 4 6 0 106 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-1-[(3-aminophenyl)methylsulfonyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[(3-aminophenyl)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) 0.20 0.22 -15.44 4 6 0 106 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[(3-aminophenyl)methylsulfonyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[(3-aminophenyl)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) 0.20 0.36 -15.65 4 6 0 106 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[(3-aminophenyl)methylsulfonyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[(3-aminophenyl)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) 0.20 0.36 -15.59 4 6 0 106 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[(3-aminophenyl)methylsulfonyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[(3-aminophenyl)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) 0.20 1.14 -22.07 4 6 0 106 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-propyl-1-piperidyl)sulfonylmethyl]phenyl]methanamine [3-[(4-propyl-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) 2.87 5.24 -50.03 3 4 1 65 311.471 6 ↓
Hi High (pH 8-9.5) 2.87 4.84 -10.02 2 4 0 63 310.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-propyl-1-piperidyl)sulfonylmethyl]phenyl]methanamine [4-[(4-propyl-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) 2.89 5.25 -50.85 3 4 1 65 311.471 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4-propyl-1-piperidyl)sulfonylmethyl]phenyl]methanamine [2-[(4-propyl-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) 2.84 5.32 -55.11 3 4 1 65 311.471 6 ↓
Hi High (pH 8-9.5) 2.84 4.95 -9.86 2 4 0 63 310.463 6 ↓

Analogs

21053446
21053446

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Popular Name: 4-[(4-ethyl-1-piperidyl)sulfonylmethyl]aniline 4-[(4-ethyl-1-piperidyl)sulfonyl…

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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) 2.22 4.37 -11.55 2 4 0 63 282.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-ethyl-1-piperidyl)sulfonylmethyl]aniline 3-[(4-ethyl-1-piperidyl)sulfonyl…

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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) 2.20 4.36 -11.52 2 4 0 63 282.409 4 ↓

Analogs

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Popular Name: 2-[(4-propyl-1-piperidyl)sulfonylmethyl]benzonitrile 2-[(4-propyl-1-piperidyl)sulfony…

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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) 3.41 7.43 -12.65 0 4 0 61 306.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-propyl-1-piperidyl)sulfonylmethyl]benzonitrile 4-[(4-propyl-1-piperidyl)sulfony…

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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) 3.46 7.61 -12.37 0 4 0 61 306.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(dimethylaminomethyl)-1-piperidyl]sulfonylmethyl]aniline 4-[[4-(dimethylaminomethyl)-1-pi…

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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) 1.19 5.05 -46.77 3 5 1 68 312.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(dimethylaminomethyl)-1-piperidyl]sulfonylmethyl]aniline 3-[[4-(dimethylaminomethyl)-1-pi…

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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) 1.17 5.04 -47.05 3 5 1 68 312.459 5 ↓

Analogs

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) 1.24 2.48 -15.52 1 6 0 84 313.375 5 ↓

Analogs

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) 1.24 2.52 -15.06 1 6 0 84 313.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-ol (3S)-1-[(4-nitrophenyl)methylsul…

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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) 1.03 2.54 -16.15 1 7 0 103 300.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-nitrophenyl)methylsulfonyl]piperidin-3-ol (3R)-1-[(4-nitrophenyl)methylsul…

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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) 1.03 2.59 -15.63 1 7 0 103 300.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-hydroxy-1-piperidyl]sulfonylmethyl]benzonitrile 4-[[(3S)-3-hydroxy-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) 0.83 2.22 -14.96 1 5 0 81 280.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-hydroxy-1-piperidyl]sulfonylmethyl]benzonitrile 4-[[(3R)-3-hydroxy-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) 0.83 2.27 -14.38 1 5 0 81 280.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-hydroxy-1-piperidyl]sulfonylmethyl]benzonitrile 2-[[(3S)-3-hydroxy-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) 0.78 2.05 -15.87 1 5 0 81 280.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-hydroxy-1-piperidyl]sulfonylmethyl]benzonitrile 2-[[(3R)-3-hydroxy-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) 0.78 2.09 -15.47 1 5 0 81 280.349 3 ↓

Analogs

37836810
37836810

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Popular Name: 3-[[(3S)-3-hydroxy-1-piperidyl]sulfonylmethyl]benzoic 3-[[(3S)-3-hydroxy-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) 0.96 2.39 -59.15 1 6 -1 98 298.34 4 ↓

Analogs

37836810
37836810

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-3-hydroxy-1-piperidyl]sulfonylmethyl]benzoic 3-[[(3R)-3-hydroxy-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) 0.96 2.43 -59.26 1 6 -1 98 298.34 4 ↓

Analogs

37836809
37836809

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Popular Name: 4-[[(3S)-3-hydroxy-1-piperidyl]sulfonylmethyl]benzoic 4-[[(3S)-3-hydroxy-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) 0.98 2.4 -58.03 1 6 -1 98 298.34 4 ↓

Analogs

37836809
37836809

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Popular Name: 4-[[(3R)-3-hydroxy-1-piperidyl]sulfonylmethyl]benzoic 4-[[(3R)-3-hydroxy-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) 0.98 2.44 -57.98 1 6 -1 98 298.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-cyanophenyl)methylsulfonyl]piperidine-4-carboxamide 1-[(4-cyanophenyl)methylsulfonyl…

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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) 0.57 2.24 -24.76 2 6 0 104 307.375 4 ↓

Analogs

21013971
21013971
21013972
21013972
21013973
21013973

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R)-2-methyl-1-piperidyl]sulfonylmethyl]aniline 4-[[(2R)-2-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) 1.63 3.74 -12.04 2 4 0 63 268.382 3 ↓

Analogs

21013971
21013971
21013972
21013972
21013973
21013973

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-methyl-1-piperidyl]sulfonylmethyl]aniline 4-[[(2S)-2-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) 1.63 3.71 -12.02 2 4 0 63 268.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1-piperidylsulfonylmethyl)benzonitrile 4-(1-piperidylsulfonylmethyl)ben…

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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) 1.98 5.62 -12.65 0 4 0 61 264.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-cyanophenyl)methylsulfonyl]piperidine-4-carboxamide 1-[(2-cyanophenyl)methylsulfonyl…

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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) 0.52 2.07 -25.08 2 6 0 104 307.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-[(4-aminophenyl)methylsulfonyl]-2-piperidyl]methanol [(2R)-1-[(4-aminophenyl)methylsu…

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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) 0.65 1.75 -10.02 3 5 0 84 284.381 4 ↓

Analogs

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Popular Name: [(2S)-1-[(4-aminophenyl)methylsulfonyl]-2-piperidyl]methanol [(2S)-1-[(4-aminophenyl)methylsu…

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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) 0.65 1.66 -10.19 3 5 0 84 284.381 4 ↓

Analogs

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Popular Name: [(2R)-1-[(3-aminophenyl)methylsulfonyl]-2-piperidyl]methanol [(2R)-1-[(3-aminophenyl)methylsu…

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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) 0.63 1.74 -10.04 3 5 0 84 284.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[(3-aminophenyl)methylsulfonyl]-2-piperidyl]methanol [(2S)-1-[(3-aminophenyl)methylsu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.63 1.65 -10.13 3 5 0 84 284.381 4 ↓

Analogs

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Popular Name: 1-[(4-aminophenyl)methylsulfonyl]-N-methyl-piperidine-4-carboxamide 1-[(4-aminophenyl)methylsulfonyl…

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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) 0.27 1.29 -20.77 3 6 0 93 311.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-aminophenyl)methylsulfonyl]-N-methyl-piperidine-4-carboxamide 1-[(3-aminophenyl)methylsulfonyl…

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Activity (Go SEA)

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) 0.24 1.28 -20.69 3 6 0 93 311.407 4 ↓

Analogs

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Popular Name: 4-[[(2R)-2-(hydroxymethyl)-1-piperidyl]sulfonylmethyl]benzoic 4-[[(2R)-2-(hydroxymethyl)-1-pip…

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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) 1.49 4.45 -55.03 1 6 -1 98 312.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-(hydroxymethyl)-1-piperidyl]sulfonylmethyl]benzoic 4-[[(2S)-2-(hydroxymethyl)-1-pip…

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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) 1.49 4.34 -55.47 1 6 -1 98 312.367 5 ↓

Parameters Provided:

ring.id = 15233
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 = 15233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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