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Analogs

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Popular Name: [(2R,3R)-2-(5-bromo-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2R,3R)-2-(5-bromo-2-thienyl)-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) 2.33 3.77 -42.11 3 2 1 31 290.25 2 ↓
Lo Low (pH 4.5-6) 2.33 5.75 -105.74 4 2 2 32 291.258 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(5-bromo-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2R,3S)-2-(5-bromo-2-thienyl)-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) 2.33 3.55 -45.26 3 2 1 31 290.25 2 ↓
Lo Low (pH 4.5-6) 2.33 5.86 -104.38 4 2 2 32 291.258 2 ↓

Analogs

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Popular Name: [(2S,3S)-1-methyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine [(2S,3S)-1-methyl-2-(3-methyl-2-…

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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) 1.78 3.51 -40.92 3 2 1 31 225.381 2 ↓
Lo Low (pH 4.5-6) 1.78 5.49 -100.98 4 2 2 32 226.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-methyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine [(2R,3S)-1-methyl-2-(3-methyl-2-…

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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) 1.78 3.31 -43.46 3 2 1 31 225.381 2 ↓
Lo Low (pH 4.5-6) 1.78 5.62 -98.7 4 2 2 32 226.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-1-methyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine [(2S,3R)-1-methyl-2-(3-methyl-2-…

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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) 1.78 3.37 -43.48 3 2 1 31 225.381 2 ↓
Lo Low (pH 4.5-6) 1.78 5.68 -98.63 4 2 2 32 226.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-methyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine [(2R,3R)-1-methyl-2-(3-methyl-2-…

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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) 1.78 3.53 -40.92 3 2 1 31 225.381 2 ↓
Lo Low (pH 4.5-6) 1.78 5.51 -101.08 4 2 2 32 226.389 2 ↓

Analogs

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Popular Name: [1-methyl-2-(thiophen-2-yl)piperidin-3-yl]methanamine [1-methyl-2-(thiophen-2-yl)piper…

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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) 1.40 3.03 -40.81 3 2 1 31 211.354 2 ↓
Lo Low (pH 4.5-6) 1.40 5.02 -100.6 4 2 2 32 212.362 2 ↓

Analogs

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Popular Name: [1-methyl-2-(thiophen-2-yl)piperidin-3-yl]methanamine [1-methyl-2-(thiophen-2-yl)piper…

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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) 1.40 2.82 -43.13 3 2 1 31 211.354 2 ↓
Lo Low (pH 4.5-6) 1.40 5.13 -98.47 4 2 2 32 212.362 2 ↓

Analogs

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Popular Name: [(2S,3S)-2-(5-ethyl-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2S,3S)-2-(5-ethyl-2-thienyl)-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) 2.19 4.66 -40.74 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.19 6.64 -101.13 4 2 2 32 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(5-ethyl-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2R,3S)-2-(5-ethyl-2-thienyl)-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) 2.19 4.45 -43.06 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.19 6.76 -98.94 4 2 2 32 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-2-(5-ethyl-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2S,3R)-2-(5-ethyl-2-thienyl)-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) 2.19 4.44 -42.97 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.19 6.75 -98.92 4 2 2 32 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-2-(5-ethyl-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2R,3R)-2-(5-ethyl-2-thienyl)-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) 2.19 4.65 -40.82 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.19 6.63 -101.15 4 2 2 32 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-1-methyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine [(2S,3S)-1-methyl-2-(5-methyl-2-…

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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) 1.62 3.87 -40.83 3 2 1 31 225.381 2 ↓
Lo Low (pH 4.5-6) 1.62 5.85 -100.77 4 2 2 32 226.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-methyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine [(2R,3S)-1-methyl-2-(5-methyl-2-…

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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) 1.62 3.66 -43.06 3 2 1 31 225.381 2 ↓
Lo Low (pH 4.5-6) 1.62 5.97 -98.65 4 2 2 32 226.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-1-methyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine [(2S,3R)-1-methyl-2-(5-methyl-2-…

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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) 1.62 3.65 -43.13 3 2 1 31 225.381 2 ↓
Lo Low (pH 4.5-6) 1.62 5.96 -98.64 4 2 2 32 226.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-methyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine [(2R,3R)-1-methyl-2-(5-methyl-2-…

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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) 1.62 3.86 -40.83 3 2 1 31 225.381 2 ↓
Lo Low (pH 4.5-6) 1.62 5.85 -100.76 4 2 2 32 226.389 2 ↓

Analogs

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Popular Name: [(2R,3R)-2-(4-bromo-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2R,3R)-2-(4-bromo-2-thienyl)-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) 2.14 3.65 -42.9 3 2 1 31 290.25 2 ↓
Lo Low (pH 4.5-6) 2.14 5.64 -106.11 4 2 2 32 291.258 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(4-bromo-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2R,3S)-2-(4-bromo-2-thienyl)-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) 2.14 3.43 -43.67 3 2 1 31 290.25 2 ↓
Lo Low (pH 4.5-6) 2.14 5.75 -102.56 4 2 2 32 291.258 2 ↓

Analogs

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Popular Name: 1-[(2S,3S)-2-(5-bromo-2-thienyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3S)-2-(5-bromo-2-thienyl)…

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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) 3.31 5.64 -37.2 2 2 1 20 304.277 3 ↓
Lo Low (pH 4.5-6) 3.31 7.62 -100.76 3 2 2 21 305.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3R)-2-(5-bromo-2-thienyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3R)-2-(5-bromo-2-thienyl)…

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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) 3.31 5.43 -40.14 2 2 1 20 304.277 3 ↓
Lo Low (pH 4.5-6) 3.31 7.73 -99.77 3 2 2 21 305.285 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2S,3S)-1-methyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2S,3S)-1-methyl-2-(…

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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) 2.76 5.38 -35.98 2 2 1 20 239.408 3 ↓
Lo Low (pH 4.5-6) 2.76 7.36 -96 3 2 2 21 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3S)-1-methyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2R,3S)-1-methyl-2-(…

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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) 2.76 5.18 -38.3 2 2 1 20 239.408 3 ↓
Lo Low (pH 4.5-6) 2.76 7.5 -94.04 3 2 2 21 240.416 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2S,3R)-1-methyl-2-(…

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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) 2.76 5.25 -38.38 2 2 1 20 239.408 3 ↓
Lo Low (pH 4.5-6) 2.76 7.54 -93.94 3 2 2 21 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3R)-1-methyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2R,3R)-1-methyl-2-(…

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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) 2.76 5.4 -36.05 2 2 1 20 239.408 3 ↓
Lo Low (pH 4.5-6) 2.76 7.38 -96.12 3 2 2 21 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-1-methyl-2-(2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2S,3S)-1-methyl-2-(…

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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) 2.38 4.91 -35.86 2 2 1 20 225.381 3 ↓
Lo Low (pH 4.5-6) 2.38 6.89 -95.71 3 2 2 21 226.389 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2S,3R)-1-methyl-2-(…

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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) 2.38 4.7 -38.01 2 2 1 20 225.381 3 ↓
Lo Low (pH 4.5-6) 2.38 7 -93.91 3 2 2 21 226.389 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2S,3S)-1-methyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2S,3S)-1-methyl-2-(…

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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) 2.60 5.75 -35.91 2 2 1 20 239.408 3 ↓
Lo Low (pH 4.5-6) 2.60 7.73 -95.79 3 2 2 21 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3S)-1-methyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2R,3S)-1-methyl-2-(…

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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) 2.60 5.53 -37.99 2 2 1 20 239.408 3 ↓
Lo Low (pH 4.5-6) 2.60 7.84 -94.02 3 2 2 21 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2S,3R)-1-methyl-2-(…

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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) 2.60 5.53 -38.03 2 2 1 20 239.408 3 ↓
Lo Low (pH 4.5-6) 2.60 7.83 -94.03 3 2 2 21 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3R)-1-methyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine N-methyl-1-[(2R,3R)-1-methyl-2-(…

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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) 2.60 5.74 -35.92 2 2 1 20 239.408 3 ↓
Lo Low (pH 4.5-6) 2.60 7.72 -95.85 3 2 2 21 240.416 3 ↓

Analogs

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Popular Name: 1-[(2S,3S)-2-(4-bromo-2-thienyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3S)-2-(4-bromo-2-thienyl)…

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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) 3.12 5.52 -37.84 2 2 1 20 304.277 3 ↓
Lo Low (pH 4.5-6) 3.12 7.5 -101.09 3 2 2 21 305.285 3 ↓

Analogs

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Popular Name: 1-[(2S,3R)-2-(4-bromo-2-thienyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3R)-2-(4-bromo-2-thienyl)…

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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) 3.12 5.31 -38.58 2 2 1 20 304.277 3 ↓
Lo Low (pH 4.5-6) 3.12 7.61 -98.01 3 2 2 21 305.285 3 ↓

Analogs

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Popular Name: [(2R,3R)-2-(5-bromo-2-thienyl)-1-ethyl-3-piperidyl]methanamine [(2R,3R)-2-(5-bromo-2-thienyl)-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) 2.71 4.54 -42.23 3 2 1 31 304.277 3 ↓
Lo Low (pH 4.5-6) 2.71 6.4 -104.89 4 2 2 32 305.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(5-bromo-2-thienyl)-1-ethyl-3-piperidyl]methanamine [(2R,3S)-2-(5-bromo-2-thienyl)-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) 2.71 4.34 -45.21 3 2 1 31 304.277 3 ↓
Lo Low (pH 4.5-6) 2.71 6.52 -104.07 4 2 2 32 305.285 3 ↓

Analogs

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Popular Name: [(2R,3R)-1-ethyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine [(2R,3R)-1-ethyl-2-(3-methyl-2-t…

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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) 2.15 4.31 -41.01 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.15 6.19 -100.26 4 2 2 32 240.416 3 ↓

Analogs

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Popular Name: [(2R,3S)-1-ethyl-2-(3-methyl-2-thienyl)-3-piperidyl]methanamine [(2R,3S)-1-ethyl-2-(3-methyl-2-t…

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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) 2.15 4.1 -43.33 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.15 6.27 -98.33 4 2 2 32 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-ethyl-2-(2-thienyl)-3-piperidyl]methanamine [(2R,3R)-1-ethyl-2-(2-thienyl)-3…

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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) 1.78 3.82 -40.86 3 2 1 31 225.381 3 ↓
Lo Low (pH 4.5-6) 1.78 5.67 -99.7 4 2 2 32 226.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-ethyl-2-(2-thienyl)-3-piperidyl]methanamine [(2R,3S)-1-ethyl-2-(2-thienyl)-3…

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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) 1.78 3.61 -43 3 2 1 31 225.381 3 ↓
Lo Low (pH 4.5-6) 1.78 5.79 -98.15 4 2 2 32 226.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-ethyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine [(2R,3R)-1-ethyl-2-(5-methyl-2-t…

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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) 2.00 4.65 -40.86 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.00 6.5 -99.94 4 2 2 32 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-ethyl-2-(5-methyl-2-thienyl)-3-piperidyl]methanamine [(2R,3S)-1-ethyl-2-(5-methyl-2-t…

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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) 2.00 4.44 -42.94 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.00 6.63 -98.27 4 2 2 32 240.416 3 ↓

Analogs

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Popular Name: [(2R,3R)-2-(4-bromo-2-thienyl)-1-ethyl-3-piperidyl]methanamine [(2R,3R)-2-(4-bromo-2-thienyl)-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) 2.51 4.43 -42.92 3 2 1 31 304.277 3 ↓
Lo Low (pH 4.5-6) 2.51 6.28 -105.22 4 2 2 32 305.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(4-bromo-2-thienyl)-1-ethyl-3-piperidyl]methanamine [(2R,3S)-2-(4-bromo-2-thienyl)-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) 2.51 4.22 -43.6 3 2 1 31 304.277 3 ↓
Lo Low (pH 4.5-6) 2.51 6.41 -102.13 4 2 2 32 305.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3R)-1-ethyl-2-(2-thienyl)-3-piperidyl]-N-methyl-methanamine 1-[(2R,3R)-1-ethyl-2-(2-thienyl)…

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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) 2.76 5.69 -35.95 2 2 1 20 239.408 4 ↓
Lo Low (pH 4.5-6) 2.76 7.54 -94.79 3 2 2 21 240.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-1-ethyl-2-(2-thienyl)-3-piperidyl]-N-methyl-methanamine 1-[(2R,3S)-1-ethyl-2-(2-thienyl)…

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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) 2.76 5.49 -37.94 2 2 1 20 239.408 4 ↓
Lo Low (pH 4.5-6) 2.76 7.66 -93.49 3 2 2 21 240.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-propyl-2-(2-thienyl)-3-piperidyl]methanamine [(2R,3R)-1-propyl-2-(2-thienyl)-…

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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 4.57 -40.99 3 2 1 31 239.408 4 ↓
Mid Mid (pH 6-8) 2.28 6.41 -101.16 4 2 2 32 240.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-propyl-2-(2-thienyl)-3-piperidyl]methanamine [(2R,3S)-1-propyl-2-(2-thienyl)-…

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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 4.37 -42.97 3 2 1 31 239.408 4 ↓
Mid Mid (pH 6-8) 2.28 6.54 -99.31 4 2 2 32 240.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-isopropyl-2-(2-thienyl)-3-piperidyl]methanamine [(2R,3R)-1-isopropyl-2-(2-thieny…

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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) 2.07 4.19 -40.64 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.07 5.97 -99.09 4 2 2 32 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-isopropyl-2-(2-thienyl)-3-piperidyl]methanamine [(2R,3S)-1-isopropyl-2-(2-thieny…

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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) 2.07 3.99 -42.62 3 2 1 31 239.408 3 ↓
Lo Low (pH 4.5-6) 2.07 6.08 -97 4 2 2 32 240.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-1-methyl-2-(2-thienyl)-3-piperidyl]methyl]ethanamine N-[[(2S,3S)-1-methyl-2-(2-thieny…

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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 5.77 -34.41 2 2 1 20 239.408 4 ↓
Lo Low (pH 4.5-6) 2.41 7.75 -95.76 3 2 2 21 240.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-1-methyl-2-(2-thienyl)-3-piperidyl]methyl]ethanamine N-[[(2S,3R)-1-methyl-2-(2-thieny…

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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 5.56 -36.9 2 2 1 20 239.408 4 ↓
Lo Low (pH 4.5-6) 2.41 7.86 -94 3 2 2 21 240.416 4 ↓

Parameters Provided:

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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 = 186832 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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