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Analogs

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Popular Name: (3S)-3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methyl-piperidine-1-sulfonamide (3S)-3-hydroxy-N-[(3-methoxyphen…

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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) 0.91 1.56 -14.34 1 6 0 70 314.407 5 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(1-piperidylsulfonylamino)propanoic (2R)-2-phenyl-2-(1-piperidylsulf…

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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 4.62 -47.22 1 6 -1 90 311.383 5 ↓
Hi High (pH 8-9.5) 1.66 4.78 -125.51 0 6 -2 92 310.375 5 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(1-piperidylsulfonylamino)propanoic (2S)-2-phenyl-2-(1-piperidylsulf…

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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 5.15 -57 1 6 -1 90 311.383 5 ↓
Hi High (pH 8-9.5) 1.66 4.75 -125.88 0 6 -2 92 310.375 5 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-4-methyl-piperidine-1-sulfonamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 1.01 3.03 -51.71 4 5 1 77 312.459 6 ↓
Hi High (pH 8-9.5) 1.01 2.72 -78.48 3 5 0 79 311.451 6 ↓

Analogs

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Popular Name: (3R)-N-[[4-(2-aminoethyl)phenyl]methyl]-3-methyl-piperidine-1-sulfonamide (3R)-N-[[4-(2-aminoethyl)phenyl]…

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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) 1.01 3.03 -51.75 4 5 1 77 312.459 6 ↓
Hi High (pH 8-9.5) 1.01 2.72 -78.92 3 5 0 79 311.451 6 ↓

Analogs

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Popular Name: (3S)-N-[[4-(2-aminoethyl)phenyl]methyl]-3-methyl-piperidine-1-sulfonamide (3S)-N-[[4-(2-aminoethyl)phenyl]…

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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) 1.01 3.14 -52.45 4 5 1 77 312.459 6 ↓
Hi High (pH 8-9.5) 1.01 2.76 -79.29 3 5 0 79 311.451 6 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]piperidine-1-sulfonamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 0.77 2.45 -52.19 4 5 1 77 298.432 6 ↓
Hi High (pH 8-9.5) 0.77 2.14 -78.94 3 5 0 79 297.424 6 ↓

Analogs

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Popular Name: (2R)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-methyl-piperidine-1-sulfonamide (2R)-N-[[4-(2-aminoethyl)phenyl]…

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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) 1.10 3.42 -51.59 4 5 1 77 312.459 6 ↓
Hi High (pH 8-9.5) 1.10 3.08 -77.74 3 5 0 79 311.451 6 ↓

Analogs

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Popular Name: (2S)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-methyl-piperidine-1-sulfonamide (2S)-N-[[4-(2-aminoethyl)phenyl]…

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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) 1.10 3.42 -52.16 4 5 1 77 312.459 6 ↓
Hi High (pH 8-9.5) 1.10 3.06 -77.74 3 5 0 79 311.451 6 ↓

Analogs

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Popular Name: 4-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-piperidine-1-sulfonamide 4-amino-N-[(3-methoxyphenyl)meth…

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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) 0.42 2.15 -60.94 3 6 1 77 314.431 5 ↓

Analogs

44759614
44759614
32770548
32770548
12336693
12336693

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Popular Name: 4-amino-N-benzyl-N-methyl-piperidine-1-sulfonamide 4-amino-N-benzyl-N-methyl-piperi…

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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) 0.39 2.85 -57.96 3 5 1 68 284.405 4 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-methyl-1-piperidyl]sulfonylamino]-2-phenyl-acetic (2S)-2-[[(2R)-2-methyl-1-piperid…

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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) 1.54 5.14 -45.42 1 6 -1 90 311.383 5 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-methyl-1-piperidyl]sulfonylamino]-2-phenyl-acetic (2S)-2-[[(2S)-2-methyl-1-piperid…

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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) 1.54 5.37 -45.91 1 6 -1 90 311.383 5 ↓

Analogs

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Popular Name: (3S)-1-[benzyl(methyl)sulfamoyl]piperidine-3-carboxylic (3S)-1-[benzyl(methyl)sulfamoyl]…

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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) 1.14 6.12 -50.02 0 6 -1 81 311.383 5 ↓

Analogs

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Popular Name: (2R)-1-[benzyl(methyl)sulfamoyl]piperidine-2-carboxylic (2R)-1-[benzyl(methyl)sulfamoyl]…

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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) -0.19 6.7 -53.47 0 6 -1 81 311.383 5 ↓

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-N,4-dimethyl-piperidine-1-sulfonamide N-[(2-methoxyphenyl)methyl]-N,4-…

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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) 2.28 5.72 -8.93 0 5 0 50 312.435 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-piperidine-1-sulfonamide N-[(1S)-1-(4-fluorophenyl)ethyl]…

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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) 2.75 4.95 -8.84 1 4 0 49 300.399 4 ↓
Hi High (pH 8-9.5) 2.75 4.94 -38.59 0 4 -1 51 299.391 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-piperidine-1-sulfonamide N-[(1R)-1-(4-fluorophenyl)ethyl]…

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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) 2.75 5.24 -10.33 1 4 0 49 300.399 4 ↓
Hi High (pH 8-9.5) 2.75 4.94 -38.62 0 4 -1 51 299.391 4 ↓

Analogs

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Popular Name: 1-(N-Benzyl-N-(tert-butoxycarbonyl)sulfamoyl)piperidine-3-carboxylic acid 1-(N-Benzyl-N-(tert-butoxycarbon…

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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) 2.17 7.56 -52.14 0 8 -1 107 397.473 7 ↓

Analogs

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Popular Name: 1-(N-Benzyl-N-(tert-butoxycarbonyl)sulfamoyl)piperidine-3-carboxylic acid 1-(N-Benzyl-N-(tert-butoxycarbon…

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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) 2.17 7 -51.32 0 8 -1 107 397.473 7 ↓

Analogs

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Popular Name: (3S,5R)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-3,5-dimethyl-piperidine-1-sulfonamide (3S,5R)-N-[(1R)-2-hydroxy-1-phen…

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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 2.29 -8.86 2 5 0 70 312.435 5 ↓
Hi High (pH 8-9.5) 2.05 2.25 -44.56 1 5 -1 72 311.427 5 ↓

Analogs

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Popular Name: (3S,5S)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-3,5-dimethyl-piperidine-1-sulfonamide (3S,5S)-N-[(1R)-2-hydroxy-1-phen…

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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 2.52 -9.83 2 5 0 70 312.435 5 ↓
Hi High (pH 8-9.5) 2.05 2.4 -43.19 1 5 -1 72 311.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-3,5-dimethyl-piperidine-1-sulfonamide (3R,5R)-N-[(1R)-2-hydroxy-1-phen…

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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 2.18 -8.77 2 5 0 70 312.435 5 ↓
Hi High (pH 8-9.5) 2.05 2.4 -43.15 1 5 -1 72 311.427 5 ↓

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-4-methyl-piperidine-1-sulfonamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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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) 1.58 1.71 -9.2 2 5 0 70 298.408 5 ↓
Hi High (pH 8-9.5) 1.58 1.66 -43.81 1 5 -1 72 297.4 5 ↓

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-methyl-piperidine-1-sulfonamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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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) 1.58 1.97 -10.88 2 5 0 70 298.408 5 ↓
Hi High (pH 8-9.5) 1.58 1.67 -43.84 1 5 -1 72 297.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-methyl-piperidine-1-sulfonamide (3R)-N-[(1R)-2-hydroxy-1-phenyl-…

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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) 1.58 1.7 -9.01 2 5 0 70 298.408 5 ↓
Hi High (pH 8-9.5) 1.58 1.66 -44.24 1 5 -1 72 297.4 5 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-methyl-piperidine-1-sulfonamide (3S)-N-[(1R)-2-hydroxy-1-phenyl-…

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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) 1.58 1.79 -9.78 2 5 0 70 298.408 5 ↓
Hi High (pH 8-9.5) 1.58 1.69 -44.66 1 5 -1 72 297.4 5 ↓

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]piperidine-1-sulfonamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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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) 1.34 1.16 -9.36 2 5 0 70 284.381 5 ↓
Hi High (pH 8-9.5) 1.34 1.09 -43.9 1 5 -1 72 283.373 5 ↓

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]piperidine-1-sulfonamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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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) 1.34 1.12 -9.36 2 5 0 70 284.381 5 ↓
Hi High (pH 8-9.5) 1.34 1.09 -43.88 1 5 -1 72 283.373 5 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-2-methyl-piperidine-1-sulfonamide (2R)-N-[(1R)-2-hydroxy-1-phenyl-…

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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 2.12 -8.76 2 5 0 70 298.408 5 ↓
Hi High (pH 8-9.5) 1.66 1.97 -43.55 1 5 -1 72 297.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-2-methyl-piperidine-1-sulfonamide (2S)-N-[(1R)-2-hydroxy-1-phenyl-…

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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 2.15 -9.34 2 5 0 70 298.408 5 ↓
Hi High (pH 8-9.5) 1.66 2.01 -42.86 1 5 -1 72 297.4 5 ↓

Analogs

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Popular Name: (3R)-N-[(3,5-dichlorophenyl)methyl]-N,3-dimethyl-piperidine-1-sulfonamide (3R)-N-[(3,5-dichlorophenyl)meth…

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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) 3.55 7.17 -8.88 0 4 0 41 351.299 4 ↓

Analogs

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Popular Name: (3S)-N-[(3,5-dichlorophenyl)methyl]-N,3-dimethyl-piperidine-1-sulfonamide (3S)-N-[(3,5-dichlorophenyl)meth…

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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) 3.55 6.66 -7.41 0 4 0 41 351.299 4 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(2,5-difluorophenyl)ethyl]-N,3-dimethyl-piperidine-1-sulfonamide (3R)-N-[(1S)-1-(2,5-difluorophen…

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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) 3.08 6.52 -10.4 0 4 0 41 332.416 4 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-(2,5-difluorophenyl)ethyl]-N,3-dimethyl-piperidine-1-sulfonamide (3S)-N-[(1S)-1-(2,5-difluorophen…

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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) 3.08 6.65 -11.14 0 4 0 41 332.416 4 ↓

Analogs

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Popular Name: (3R)-N-[(2,3-dimethoxyphenyl)methyl]-3-methyl-piperidine-1-sulfonamide (3R)-N-[(2,3-dimethoxyphenyl)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) 1.84 3.46 -10.38 1 6 0 68 328.434 6 ↓
Hi High (pH 8-9.5) 1.84 3.14 -50.5 0 6 -1 70 327.426 6 ↓

Analogs

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Popular Name: (3S)-N-[(2,3-dimethoxyphenyl)methyl]-3-methyl-piperidine-1-sulfonamide (3S)-N-[(2,3-dimethoxyphenyl)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) 1.84 3.56 -11.11 1 6 0 68 328.434 6 ↓
Hi High (pH 8-9.5) 1.84 3.18 -50.83 0 6 -1 70 327.426 6 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethyl-piperidine-1-sulfonamide (3R)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 3.48 6.74 -8.72 0 4 0 41 330.881 4 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethyl-piperidine-1-sulfonamide (3S)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 3.48 6.86 -9.43 0 4 0 41 330.881 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(4-nitrophenyl)methyl]piperidine-1-sulfonamide (3R)-3-methyl-N-[(4-nitrophenyl)…

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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 4.92 -13.19 1 7 0 95 313.379 5 ↓
Hi High (pH 8-9.5) 1.98 4.62 -37.29 0 7 -1 97 312.371 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[(4-nitrophenyl)methyl]piperidine-1-sulfonamide (3S)-3-methyl-N-[(4-nitrophenyl)…

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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 5.04 -14.11 1 7 0 95 313.379 5 ↓
Hi High (pH 8-9.5) 1.98 4.65 -37.75 0 7 -1 97 312.371 5 ↓

Analogs

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Popular Name: (3R)-N-[(3,4-difluorophenyl)methyl]-N-(2-dimethylaminoethyl)-3-methyl-piperidine-1-sulfonamide (3R)-N-[(3,4-difluorophenyl)meth…

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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) 2.56 8.19 -53.83 1 5 1 45 376.493 7 ↓
Hi High (pH 8-9.5) 2.56 5.71 -10.13 0 5 0 44 375.485 7 ↓

Analogs

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Popular Name: (3S)-N-[(4-fluorophenyl)methyl]-3-methyl-N-prop-2-ynyl-piperidine-1-sulfonamide (3S)-N-[(4-fluorophenyl)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) 2.59 7.14 -10.05 0 4 0 41 324.421 5 ↓

Analogs

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Popular Name: (3S,5R)-3,5-dimethyl-N-[(2-nitrophenyl)methyl]piperidine-1-sulfonamide (3S,5R)-3,5-dimethyl-N-[(2-nitro…

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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) 2.41 5.3 -10.94 1 7 0 95 327.406 5 ↓
Hi High (pH 8-9.5) 2.41 5.12 -53.11 0 7 -1 97 326.398 5 ↓

Analogs

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Popular Name: (3S,5S)-3,5-dimethyl-N-[(2-nitrophenyl)methyl]piperidine-1-sulfonamide (3S,5S)-3,5-dimethyl-N-[(2-nitro…

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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) 2.41 5.76 -11.83 1 7 0 95 327.406 5 ↓
Hi High (pH 8-9.5) 2.41 5.27 -51.67 0 7 -1 97 326.398 5 ↓

Analogs

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Popular Name: (3R,5R)-3,5-dimethyl-N-[(2-nitrophenyl)methyl]piperidine-1-sulfonamide (3R,5R)-3,5-dimethyl-N-[(2-nitro…

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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) 2.41 5.21 -15.47 1 7 0 95 327.406 5 ↓
Hi High (pH 8-9.5) 2.41 5.27 -51.79 0 7 -1 97 326.398 5 ↓

Analogs

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Popular Name: 4-(2-aminoethyl)-N-benzyl-N-methyl-piperidine-1-sulfonamide 4-(2-aminoethyl)-N-benzyl-N-meth…

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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 4.23 -55.57 3 5 1 68 312.459 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]piperidine-1-sulfonamide N-[(1S)-1-(3-chloro-4-fluoro-phe…

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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) 3.11 4.86 -9.25 1 4 0 49 320.817 4 ↓
Hi High (pH 8-9.5) 3.11 4.84 -36.58 0 4 -1 51 319.809 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]piperidine-1-sulfonamide N-[(1R)-1-(3-chloro-4-fluoro-phe…

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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) 3.11 4.89 -9.26 1 4 0 49 320.817 4 ↓
Hi High (pH 8-9.5) 3.11 4.83 -36.61 0 4 -1 51 319.809 4 ↓

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]piperidine-1-sulfonamide N-[(4-methylsulfanylphenyl)methy…

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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 4.65 -9.71 1 4 0 49 300.449 5 ↓
Hi High (pH 8-9.5) 2.22 4.34 -43.29 0 4 -1 51 299.441 5 ↓

Parameters Provided:

ring.id = 18755
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 = 18755 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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