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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(5-methylfuran-2-yl)piperidine 4-methyl-2-(5-methylfuran-2-yl)p…

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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) 2.31 5.72 -34.86 2 2 1 30 180.271 1 ↓

Analogs

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Popular Name: 4-methyl-2-(5-methylfuran-2-yl)piperidine 4-methyl-2-(5-methylfuran-2-yl)p…

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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) 2.31 5.58 -37.4 2 2 1 30 180.271 1 ↓

Analogs

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Popular Name: 4-methyl-2-(5-methylfuran-2-yl)piperidine 4-methyl-2-(5-methylfuran-2-yl)p…

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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) 2.31 5.58 -37.37 2 2 1 30 180.271 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(5-methylfuran-2-yl)piperidine 4-methyl-2-(5-methylfuran-2-yl)p…

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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) 2.31 5.72 -34.85 2 2 1 30 180.271 1 ↓

Analogs

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Popular Name: 2-(5-ethylfuran-2-yl)-4-methylpiperidine 2-(5-ethylfuran-2-yl)-4-methylpi…

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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) 2.88 6.5 -34.8 2 2 1 30 194.298 2 ↓

Analogs

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Popular Name: 2-(5-ethylfuran-2-yl)-4-methylpiperidine 2-(5-ethylfuran-2-yl)-4-methylpi…

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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) 2.88 6.37 -37.34 2 2 1 30 194.298 2 ↓

Analogs

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Popular Name: 2-(5-ethylfuran-2-yl)-4-methylpiperidine 2-(5-ethylfuran-2-yl)-4-methylpi…

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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) 2.88 6.37 -37.43 2 2 1 30 194.298 2 ↓

Analogs

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Popular Name: 2-(5-ethylfuran-2-yl)-4-methylpiperidine 2-(5-ethylfuran-2-yl)-4-methylpi…

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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) 2.88 6.5 -34.73 2 2 1 30 194.298 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-1-methyl-2-(5-methyl-2-furyl)-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) 0.98 4.92 -102.46 4 3 2 45 210.321 2 ↓
Mid Mid (pH 6-8) 0.98 2.62 -44.5 3 3 1 44 209.313 2 ↓
Mid Mid (pH 6-8) 0.98 4.53 -32.57 3 3 1 44 209.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-methyl-2-(5-methyl-2-furyl)-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) 0.98 4.99 -98.05 4 3 2 45 210.321 2 ↓
Mid Mid (pH 6-8) 0.98 4.61 -31.69 3 3 1 44 209.313 2 ↓
Mid Mid (pH 6-8) 0.98 2.67 -44.03 3 3 1 44 209.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-1-methyl-2-(5-methyl-2-furyl)-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) 0.98 4.99 -98.07 4 3 2 45 210.321 2 ↓
Mid Mid (pH 6-8) 0.98 4.63 -30.92 3 3 1 44 209.313 2 ↓
Mid Mid (pH 6-8) 0.98 2.67 -44.05 3 3 1 44 209.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-methyl-2-(5-methyl-2-furyl)-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) 0.98 4.92 -102.46 4 3 2 45 210.321 2 ↓
Mid Mid (pH 6-8) 0.98 4.55 -33.85 3 3 1 44 209.313 2 ↓
Mid Mid (pH 6-8) 0.98 2.62 -44.49 3 3 1 44 209.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-2-(2-furyl)-1-methyl-3-piperidyl]methanamine [(2R,3R)-2-(2-furyl)-1-methyl-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) 0.76 4.09 -101.98 4 3 2 45 196.294 2 ↓
Mid Mid (pH 6-8) 0.76 3.73 -33.7 3 3 1 44 195.286 2 ↓
Mid Mid (pH 6-8) 0.76 1.8 -44.33 3 3 1 44 195.286 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(2-furyl)-1-methyl-3-piperidyl]methanamine [(2R,3S)-2-(2-furyl)-1-methyl-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) 0.76 4.17 -97.84 4 3 2 45 196.294 2 ↓
Mid Mid (pH 6-8) 0.76 1.86 -43.92 3 3 1 44 195.286 2 ↓
Mid Mid (pH 6-8) 0.76 3.79 -31.75 3 3 1 44 195.286 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.69 4.81 -107.02 4 3 2 45 275.19 2 ↓
Mid Mid (pH 6-8) 1.69 4.45 -36.54 3 3 1 44 274.182 2 ↓
Mid Mid (pH 6-8) 1.69 2.53 -46.35 3 3 1 44 274.182 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.69 4.9 -102.3 4 3 2 45 275.19 2 ↓
Mid Mid (pH 6-8) 1.69 4.52 -33.65 3 3 1 44 274.182 2 ↓
Mid Mid (pH 6-8) 1.69 2.58 -45.86 3 3 1 44 274.182 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3S)-1-methyl-2-(5-methyl-2-furyl)-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) 1.96 6.79 -97.93 3 3 2 34 224.348 3 ↓
Hi High (pH 8-9.5) 1.96 5.49 -34.3 2 3 1 30 223.34 3 ↓
Mid Mid (pH 6-8) 1.96 4.5 -39.35 2 3 1 33 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3S)-1-methyl-2-(5-methyl-2-furyl)-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) 1.96 6.86 -93.52 3 3 2 34 224.348 3 ↓
Hi High (pH 8-9.5) 1.96 5.56 -31.33 2 3 1 30 223.34 3 ↓
Mid Mid (pH 6-8) 1.96 4.55 -38.92 2 3 1 33 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(5-methyl-2-furyl)-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) 1.96 6.86 -93.52 3 3 2 34 224.348 3 ↓
Hi High (pH 8-9.5) 1.96 5.43 -32 2 3 1 30 223.34 3 ↓
Mid Mid (pH 6-8) 1.96 4.55 -38.91 2 3 1 33 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3R)-1-methyl-2-(5-methyl-2-furyl)-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) 1.96 6.79 -97.87 3 3 2 34 224.348 3 ↓
Hi High (pH 8-9.5) 1.96 5.35 -33.2 2 3 1 30 223.34 3 ↓
Mid Mid (pH 6-8) 1.96 4.5 -39.35 2 3 1 33 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-2-(2-furyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3S)-2-(2-furyl)-1-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) 1.74 5.97 -97.51 3 3 2 34 210.321 3 ↓
Hi High (pH 8-9.5) 1.74 4.53 -33.16 2 3 1 30 209.313 3 ↓
Mid Mid (pH 6-8) 1.74 3.69 -39.18 2 3 1 33 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3R)-2-(2-furyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3R)-2-(2-furyl)-1-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) 1.74 6.04 -93.36 3 3 2 34 210.321 3 ↓
Hi High (pH 8-9.5) 1.74 4.74 -31.47 2 3 1 30 209.313 3 ↓
Mid Mid (pH 6-8) 1.74 3.73 -38.8 2 3 1 33 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3S)-2-(5-bromo-2-furyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3S)-2-(5-bromo-2-furyl)-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) 2.67 6.69 -102.53 3 3 2 34 289.217 3 ↓
Hi High (pH 8-9.5) 2.67 5.25 -35.71 2 3 1 30 288.209 3 ↓
Mid Mid (pH 6-8) 2.67 4.41 -41.19 2 3 1 33 288.209 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,3R)-2-(5-bromo-2-furyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3R)-2-(5-bromo-2-furyl)-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) 2.67 6.77 -97.69 3 3 2 34 289.217 3 ↓
Hi High (pH 8-9.5) 2.67 5.47 -33.17 2 3 1 30 288.209 3 ↓
Mid Mid (pH 6-8) 2.67 4.46 -40.7 2 3 1 33 288.209 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.36 5.56 -101.97 4 3 2 45 224.348 3 ↓
Mid Mid (pH 6-8) 1.36 5.2 -31.93 3 3 1 44 223.34 3 ↓
Mid Mid (pH 6-8) 1.36 3.43 -44.45 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.36 5.64 -97.8 4 3 2 45 224.348 3 ↓
Mid Mid (pH 6-8) 1.36 5.26 -30.07 3 3 1 44 223.34 3 ↓
Mid Mid (pH 6-8) 1.36 3.47 -43.81 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4.74 -101.61 4 3 2 45 210.321 3 ↓
Mid Mid (pH 6-8) 1.14 4.38 -31.9 3 3 1 44 209.313 3 ↓
Mid Mid (pH 6-8) 1.14 2.59 -44.26 3 3 1 44 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4.82 -97.63 4 3 2 45 210.321 3 ↓
Mid Mid (pH 6-8) 1.14 4.44 -30.2 3 3 1 44 209.313 3 ↓
Mid Mid (pH 6-8) 1.14 2.65 -43.75 3 3 1 44 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-2-(5-bromo-2-furyl)-1-ethyl-3-piperidyl]methanamine [(2R,3R)-2-(5-bromo-2-furyl)-1-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) 2.07 5.46 -106.73 4 3 2 45 289.217 3 ↓
Mid Mid (pH 6-8) 2.07 5.1 -34.7 3 3 1 44 288.209 3 ↓
Mid Mid (pH 6-8) 2.07 3.33 -46.37 3 3 1 44 288.209 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(5-bromo-2-furyl)-1-ethyl-3-piperidyl]methanamine [(2R,3S)-2-(5-bromo-2-furyl)-1-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) 2.07 5.55 -102.17 4 3 2 45 289.217 3 ↓
Mid Mid (pH 6-8) 2.07 5.17 -32.27 3 3 1 44 288.209 3 ↓
Mid Mid (pH 6-8) 2.07 3.38 -45.68 3 3 1 44 288.209 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3R)-1-ethyl-2-(2-furyl)-3-piperidyl]-N-methyl-methanamine 1-[(2R,3R)-1-ethyl-2-(2-furyl)-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) 2.12 6.62 -97.01 3 3 2 34 224.348 4 ↓
Hi High (pH 8-9.5) 2.12 5.18 -31.34 2 3 1 30 223.34 4 ↓
Mid Mid (pH 6-8) 2.12 4.47 -39.18 2 3 1 33 223.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-1-ethyl-2-(2-furyl)-3-piperidyl]-N-methyl-methanamine 1-[(2R,3S)-1-ethyl-2-(2-furyl)-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) 2.12 6.69 -93.02 3 3 2 34 224.348 4 ↓
Hi High (pH 8-9.5) 2.12 5.4 -29.89 2 3 1 30 223.34 4 ↓
Mid Mid (pH 6-8) 2.12 4.53 -38.65 2 3 1 33 223.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-2-(2-furyl)-1-propyl-3-piperidyl]methanamine [(2R,3R)-2-(2-furyl)-1-propyl-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) 1.64 5.48 -102.9 4 3 2 45 224.348 4 ↓
Mid Mid (pH 6-8) 1.64 3.35 -44.28 3 3 1 44 223.34 4 ↓
Mid Mid (pH 6-8) 1.64 5.1 -31.22 3 3 1 44 223.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-2-(2-furyl)-1-propyl-3-piperidyl]methanamine [(2R,3S)-2-(2-furyl)-1-propyl-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) 1.64 5.56 -98.78 4 3 2 45 224.348 4 ↓
Mid Mid (pH 6-8) 1.64 5.21 -29.91 3 3 1 44 223.34 4 ↓
Mid Mid (pH 6-8) 1.64 3.4 -43.69 3 3 1 44 223.34 4 ↓

Analogs

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

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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) 1.43 5.24 -99.74 4 3 2 45 224.348 3 ↓
Mid Mid (pH 6-8) 1.43 4.87 -29.9 3 3 1 44 223.34 3 ↓
Mid Mid (pH 6-8) 1.43 3.14 -44.21 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.43 5.09 -96.54 4 3 2 45 224.348 3 ↓
Mid Mid (pH 6-8) 1.43 4.72 -28.79 3 3 1 44 223.34 3 ↓
Mid Mid (pH 6-8) 1.43 3.03 -43.36 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3S)-2-(2-furyl)-1-methyl-3-piperidyl]methyl]ethanamine N-[[(2S,3S)-2-(2-furyl)-1-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) 1.76 6.83 -97.61 3 3 2 34 224.348 4 ↓
Mid Mid (pH 6-8) 1.76 4.55 -38.02 2 3 1 33 223.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-2-(2-furyl)-1-methyl-3-piperidyl]methyl]ethanamine N-[[(2S,3R)-2-(2-furyl)-1-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) 1.76 6.91 -93.48 3 3 2 34 224.348 4 ↓
Mid Mid (pH 6-8) 1.76 4.59 -37.63 2 3 1 33 223.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-methyl-2-(5-nitro-2-furyl)piperidin-3-amine (2R,3S)-1-methyl-2-(5-nitro-2-fu…

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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) 0.53 4.35 -39.35 3 6 1 89 226.256 2 ↓
Lo Low (pH 4.5-6) 0.53 3.86 -128.58 4 6 2 91 227.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-methyl-2-(5-nitro-2-furyl)piperidin-3-amine (2R,3R)-1-methyl-2-(5-nitro-2-fu…

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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) 0.53 3.96 -41.85 3 6 1 89 226.256 2 ↓
Lo Low (pH 4.5-6) 0.53 4.29 -124.48 4 6 2 91 227.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-(2-furyl)-1-methyl-piperidin-3-amine (2R,3S)-2-(2-furyl)-1-methyl-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) 0.45 3.15 -33.53 3 3 1 44 181.259 1 ↓
Lo Low (pH 4.5-6) 0.45 3.46 -106.88 4 3 2 45 182.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(2-furyl)-1-methyl-piperidin-3-amine (2R,3R)-2-(2-furyl)-1-methyl-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) 0.45 3.27 -31.57 3 3 1 44 181.259 1 ↓
Lo Low (pH 4.5-6) 0.45 3.59 -102.92 4 3 2 45 182.267 1 ↓

Analogs

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Popular Name: (2R,3S)-2-(5-bromo-2-furyl)-1-methyl-piperidin-3-amine (2R,3S)-2-(5-bromo-2-furyl)-1-me…

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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) 1.38 3.88 -36.01 3 3 1 44 260.155 1 ↓
Lo Low (pH 4.5-6) 1.38 4.18 -113 4 3 2 45 261.163 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(5-bromo-2-furyl)-1-methyl-piperidin-3-amine (2R,3R)-2-(5-bromo-2-furyl)-1-me…

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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) 1.38 4 -33.2 3 3 1 44 260.155 1 ↓
Lo Low (pH 4.5-6) 1.38 4.33 -108.62 4 3 2 45 261.163 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-methyl-2-(5-methyl-2-furyl)piperidin-3-amine (2S,3R)-1-methyl-2-(5-methyl-2-f…

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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) 0.67 3.94 -31.51 3 3 1 44 195.286 1 ↓
Lo Low (pH 4.5-6) 0.67 4.28 -107.42 4 3 2 45 196.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-methyl-2-(5-methyl-2-furyl)piperidin-3-amine (2R,3R)-1-methyl-2-(5-methyl-2-f…

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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) 0.67 4.09 -31.47 3 3 1 44 195.286 1 ↓
Lo Low (pH 4.5-6) 0.67 4.41 -103.28 4 3 2 45 196.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-methyl-2-(5-methyl-2-furyl)piperidin-3-amine (2S,3S)-1-methyl-2-(5-methyl-2-f…

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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) 0.67 4.1 -29.74 3 3 1 44 195.286 1 ↓
Lo Low (pH 4.5-6) 0.67 4.41 -103.24 4 3 2 45 196.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-methyl-2-(5-methyl-2-furyl)piperidin-3-amine (2R,3S)-1-methyl-2-(5-methyl-2-f…

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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) 0.67 4.5 -28.17 3 3 1 44 195.286 1 ↓
Lo Low (pH 4.5-6) 0.67 4.04 -106.78 4 3 2 45 196.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-ethyl-2-(2-furyl)piperidin-3-amine (2R,3S)-1-ethyl-2-(2-furyl)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) 0.82 4.33 -27.06 3 3 1 44 195.286 2 ↓
Lo Low (pH 4.5-6) 0.82 4.68 -103.26 4 3 2 45 196.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-ethyl-2-(2-furyl)piperidin-3-amine (2R,3R)-1-ethyl-2-(2-furyl)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) 0.82 3.92 -29.95 3 3 1 44 195.286 2 ↓
Lo Low (pH 4.5-6) 0.82 4.24 -102.79 4 3 2 45 196.294 2 ↓

Parameters Provided:

ring.id = 76197
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 = 76197 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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