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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-N-ethyl-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3S,4S)-N-ethyl-3-(4-ethyl-4-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) 2.49 6.09 -32.74 2 3 1 26 255.426 4 ↓
Hi High (pH 8-9.5) 2.49 4.33 -0.67 1 3 0 24 254.418 4 ↓
Hi High (pH 8-9.5) 2.49 5.08 -34.04 2 3 1 29 255.426 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-N-ethyl-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3R,4S)-N-ethyl-3-(4-ethyl-4-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) 2.49 5.35 -32.67 2 3 1 26 255.426 4 ↓
Hi High (pH 8-9.5) 2.49 3.51 -0.93 1 3 0 24 254.418 4 ↓
Hi High (pH 8-9.5) 2.49 4.63 -34.81 2 3 1 29 255.426 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-N-ethyl-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3S,4R)-N-ethyl-3-(4-ethyl-4-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) 2.49 5.45 -29.51 2 3 1 26 255.426 4 ↓
Hi High (pH 8-9.5) 2.49 4.58 -34.98 2 3 1 29 255.426 4 ↓
Hi High (pH 8-9.5) 2.49 3.03 -1.33 1 3 0 24 254.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-N-ethyl-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3R,4R)-N-ethyl-3-(4-ethyl-4-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) 2.49 5.99 -29.69 2 3 1 26 255.426 4 ↓
Hi High (pH 8-9.5) 2.49 3.62 -1.15 1 3 0 24 254.418 4 ↓
Hi High (pH 8-9.5) 2.49 5.13 -34.08 2 3 1 29 255.426 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3S,4S)-3-(4-ethyl-4-methyl-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) 2.11 5.2 -32.56 2 3 1 26 241.399 3 ↓
Hi High (pH 8-9.5) 2.11 3.43 -0.81 1 3 0 24 240.391 3 ↓
Lo Low (pH 4.5-6) 2.11 6.16 -113.17 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3R,4S)-3-(4-ethyl-4-methyl-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) 2.11 4.42 -32.49 2 3 1 26 241.399 3 ↓
Hi High (pH 8-9.5) 2.11 2.58 -1.11 1 3 0 24 240.391 3 ↓
Lo Low (pH 4.5-6) 2.11 5.71 -114.67 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3S,4R)-3-(4-ethyl-4-methyl-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) 2.11 4.54 -29.34 2 3 1 26 241.399 3 ↓
Hi High (pH 8-9.5) 2.11 2.18 -1.51 1 3 0 24 240.391 3 ↓
Lo Low (pH 4.5-6) 2.11 5.71 -114.67 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3R,4R)-3-(4-ethyl-4-methyl-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) 2.11 5.06 -29.41 2 3 1 26 241.399 3 ↓
Hi High (pH 8-9.5) 2.11 2.69 -1.35 1 3 0 24 240.391 3 ↓
Lo Low (pH 4.5-6) 2.11 6.15 -113.23 3 3 2 30 242.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3S,4S)-3-(4-ethyl-4-methyl-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) 1.21 4.15 -113.48 4 3 2 41 228.38 2 ↓
Hi High (pH 8-9.5) 1.21 2.21 -1.4 2 3 0 38 226.364 2 ↓
Hi High (pH 8-9.5) 1.21 2.68 -43.03 3 3 1 40 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3R,4S)-3-(4-ethyl-4-methyl-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) 1.21 3.94 -121.9 4 3 2 41 228.38 2 ↓
Hi High (pH 8-9.5) 1.21 1.7 -1.5 2 3 0 38 226.364 2 ↓
Hi High (pH 8-9.5) 1.21 1.99 -41.3 3 3 1 40 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3S,4R)-3-(4-ethyl-4-methyl-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) 1.21 3.94 -121.94 4 3 2 41 228.38 2 ↓
Hi High (pH 8-9.5) 1.21 1.96 -41.49 3 3 1 40 227.372 2 ↓
Hi High (pH 8-9.5) 1.21 1.29 -1.77 2 3 0 38 226.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-amine (3R,4R)-3-(4-ethyl-4-methyl-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) 1.21 4.52 -119.14 4 3 2 41 228.38 2 ↓
Hi High (pH 8-9.5) 1.21 1.75 -1.54 2 3 0 38 226.364 2 ↓
Hi High (pH 8-9.5) 1.21 2.69 -43.01 3 3 1 40 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4-ethyl-4-methyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3R,4R)-3-(4-ethyl-4-methyl-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) 2.99 6.85 -33.04 2 3 1 26 269.453 5 ↓
Hi High (pH 8-9.5) 2.99 5.11 -0.56 1 3 0 24 268.445 5 ↓
Hi High (pH 8-9.5) 2.99 5.89 -34.61 2 3 1 29 269.453 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4-ethyl-4-methyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3R,4S)-3-(4-ethyl-4-methyl-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) 2.99 6.2 -29.83 2 3 1 26 269.453 5 ↓
Hi High (pH 8-9.5) 2.99 3.83 -1.22 1 3 0 24 268.445 5 ↓
Hi High (pH 8-9.5) 2.99 5.39 -35.53 2 3 1 29 269.453 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4-ethyl-4-methyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3S,4R)-3-(4-ethyl-4-methyl-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) 2.99 6.13 -32.89 2 3 1 26 269.453 5 ↓
Hi High (pH 8-9.5) 2.99 4.3 -0.8 1 3 0 24 268.445 5 ↓
Hi High (pH 8-9.5) 2.99 5.43 -35.48 2 3 1 29 269.453 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4-ethyl-4-methyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3S,4S)-3-(4-ethyl-4-methyl-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) 2.99 6.73 -29.96 2 3 1 26 269.453 5 ↓
Hi High (pH 8-9.5) 2.99 4.38 -1.02 1 3 0 24 268.445 5 ↓
Hi High (pH 8-9.5) 2.99 5.9 -34.61 2 3 1 29 269.453 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4,4-diethyl-1-piperidyl)-N-ethyl-tetrahydropyran-4-amine (3S,4S)-3-(4,4-diethyl-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) 2.83 6.56 -33.31 2 3 1 26 269.453 5 ↓
Hi High (pH 8-9.5) 2.83 4.84 -0.63 1 3 0 24 268.445 5 ↓
Hi High (pH 8-9.5) 2.83 5.63 -34.08 2 3 1 29 269.453 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4,4-diethyl-1-piperidyl)-N-ethyl-tetrahydropyran-4-amine (3R,4S)-3-(4,4-diethyl-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) 2.83 5.81 -33.12 2 3 1 26 269.453 5 ↓
Hi High (pH 8-9.5) 2.83 5.15 -34.8 2 3 1 29 269.453 5 ↓
Hi High (pH 8-9.5) 2.83 4.02 -0.86 1 3 0 24 268.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4,4-diethyl-1-piperidyl)-N-ethyl-tetrahydropyran-4-amine (3S,4R)-3-(4,4-diethyl-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) 2.83 5.93 -30.08 2 3 1 26 269.453 5 ↓
Hi High (pH 8-9.5) 2.83 5.05 -35.06 2 3 1 29 269.453 5 ↓
Hi High (pH 8-9.5) 2.83 3.5 -1.22 1 3 0 24 268.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4,4-diethyl-1-piperidyl)-N-ethyl-tetrahydropyran-4-amine (3R,4R)-3-(4,4-diethyl-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) 2.83 6.45 -30.24 2 3 1 26 269.453 5 ↓
Hi High (pH 8-9.5) 2.83 5.55 -34.18 2 3 1 29 269.453 5 ↓
Hi High (pH 8-9.5) 2.83 4.08 -1.06 1 3 0 24 268.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4,4-diethyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3S,4S)-3-(4,4-diethyl-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) 2.45 5.67 -33.15 2 3 1 26 255.426 4 ↓
Hi High (pH 8-9.5) 2.45 3.92 -0.78 1 3 0 24 254.418 4 ↓
Lo Low (pH 4.5-6) 2.45 6.62 -114.67 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4,4-diethyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3R,4S)-3-(4,4-diethyl-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) 2.45 4.87 -32.98 2 3 1 26 255.426 4 ↓
Hi High (pH 8-9.5) 2.45 3.08 -1.03 1 3 0 24 254.418 4 ↓
Lo Low (pH 4.5-6) 2.45 6.18 -116.03 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4,4-diethyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3S,4R)-3-(4,4-diethyl-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) 2.45 5.02 -29.81 2 3 1 26 255.426 4 ↓
Hi High (pH 8-9.5) 2.45 2.57 -1.48 1 3 0 24 254.418 4 ↓
Lo Low (pH 4.5-6) 2.45 6.16 -116.08 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4,4-diethyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3R,4R)-3-(4,4-diethyl-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) 2.45 5.53 -29.89 2 3 1 26 255.426 4 ↓
Hi High (pH 8-9.5) 2.45 3.16 -1.23 1 3 0 24 254.418 4 ↓
Lo Low (pH 4.5-6) 2.45 6.62 -114.7 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4,4-diethyl-1-piperidyl)tetrahydropyran-4-amine (3S,4S)-3-(4,4-diethyl-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 4.58 -115.57 4 3 2 41 242.407 3 ↓
Hi High (pH 8-9.5) 1.54 2.76 -1.27 2 3 0 38 240.391 3 ↓
Hi High (pH 8-9.5) 1.54 3.17 -43.19 3 3 1 40 241.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4,4-diethyl-1-piperidyl)tetrahydropyran-4-amine (3R,4S)-3-(4,4-diethyl-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 4.41 -123.33 4 3 2 41 242.407 3 ↓
Hi High (pH 8-9.5) 1.54 2.55 -41.26 3 3 1 40 241.399 3 ↓
Hi High (pH 8-9.5) 1.54 2.26 -1.37 2 3 0 38 240.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4,4-diethyl-1-piperidyl)tetrahydropyran-4-amine (3S,4R)-3-(4,4-diethyl-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 4.44 -123.5 4 3 2 41 242.407 3 ↓
Hi High (pH 8-9.5) 1.54 1.76 -1.68 2 3 0 38 240.391 3 ↓
Hi High (pH 8-9.5) 1.54 2.43 -41.52 3 3 1 40 241.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4,4-diethyl-1-piperidyl)tetrahydropyran-4-amine (3R,4R)-3-(4,4-diethyl-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 4.98 -120.35 4 3 2 41 242.407 3 ↓
Hi High (pH 8-9.5) 1.54 3.17 -43.23 3 3 1 40 241.399 3 ↓
Hi High (pH 8-9.5) 1.54 2.21 -1.49 2 3 0 38 240.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4,4-diethyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3R,4R)-3-(4,4-diethyl-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) 3.33 7.34 -33.64 2 3 1 26 283.48 6 ↓
Hi High (pH 8-9.5) 3.33 6.34 -34.71 2 3 1 29 283.48 6 ↓
Hi High (pH 8-9.5) 3.33 5.57 -0.51 1 3 0 24 282.472 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4,4-diethyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3R,4S)-3-(4,4-diethyl-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) 3.33 6.68 -30.35 2 3 1 26 283.48 6 ↓
Hi High (pH 8-9.5) 3.33 5.89 -35.44 2 3 1 29 283.48 6 ↓
Hi High (pH 8-9.5) 3.33 4.35 -1.18 1 3 0 24 282.472 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4,4-diethyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3S,4R)-3-(4,4-diethyl-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) 3.33 6.57 -33.44 2 3 1 26 283.48 6 ↓
Hi High (pH 8-9.5) 3.33 5.81 -35.73 2 3 1 29 283.48 6 ↓
Hi High (pH 8-9.5) 3.33 4.7 -0.8 1 3 0 24 282.472 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4,4-diethyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3S,4S)-3-(4,4-diethyl-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) 3.33 7.21 -30.57 2 3 1 26 283.48 6 ↓
Hi High (pH 8-9.5) 3.33 6.33 -34.75 2 3 1 29 283.48 6 ↓
Hi High (pH 8-9.5) 3.33 4.84 -0.92 1 3 0 24 282.472 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-ol (3R,4S)-3-(4-ethyl-4-methyl-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) 1.70 3.66 -31.44 2 3 1 34 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-ol (3S,4S)-3-(4-ethyl-4-methyl-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) 1.70 3.31 -31.01 2 3 1 34 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-ol (3R,4R)-3-(4-ethyl-4-methyl-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) 1.70 3.31 -31.02 2 3 1 34 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydropyran-4-ol (3S,4R)-3-(4-ethyl-4-methyl-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) 1.70 3.66 -31.45 2 3 1 34 228.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(4,4-diethyl-1-piperidyl)tetrahydropyran-4-ol (3R,4S)-3-(4,4-diethyl-1-piperid…

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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) 2.03 4.13 -31.95 2 3 1 34 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(4,4-diethyl-1-piperidyl)tetrahydropyran-4-ol (3S,4S)-3-(4,4-diethyl-1-piperid…

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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) 2.03 3.79 -31.51 2 3 1 34 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-3-(4,4-diethyl-1-piperidyl)tetrahydropyran-4-ol (3R,4R)-3-(4,4-diethyl-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) 2.03 3.8 -31.47 2 3 1 34 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-3-(4,4-diethyl-1-piperidyl)tetrahydropyran-4-ol (3S,4R)-3-(4,4-diethyl-1-piperid…

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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) 2.03 4.13 -31.96 2 3 1 34 242.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(3,3-dimethyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3S,4S)-3-(3,3-dimethyl-1-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) 1.78 4.88 -30.73 2 3 1 26 227.372 2 ↓
Hi High (pH 8-9.5) 1.78 3.49 -0.86 1 3 0 24 226.364 2 ↓
Lo Low (pH 4.5-6) 1.78 5.84 -110.24 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(3,3-dimethyl-1-piperidyl)-N-methyl-tetrahydropyran-4-amine (3R,4S)-3-(3,3-dimethyl-1-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) 1.78 4.12 -30.64 2 3 1 26 227.372 2 ↓
Hi High (pH 8-9.5) 1.78 2.63 -1.07 1 3 0 24 226.364 2 ↓
Lo Low (pH 4.5-6) 1.78 5.38 -111.41 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(3,3-dimethyl-1-piperidyl)tetrahydropyran-4-amine (3S,4S)-3-(3,3-dimethyl-1-piperi…

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) 0.87 2.76 -42.94 3 3 1 40 213.345 1 ↓
Hi High (pH 8-9.5) 0.87 2.22 -1.43 2 3 0 38 212.337 1 ↓
Mid Mid (pH 6-8) 0.87 3.83 -30.13 3 3 1 40 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(3,3-dimethyl-1-piperidyl)tetrahydropyran-4-amine (3R,4S)-3-(3,3-dimethyl-1-piperi…

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) 0.87 1.96 -42.1 3 3 1 40 213.345 1 ↓
Hi High (pH 8-9.5) 0.87 1.65 -1.54 2 3 0 38 212.337 1 ↓
Mid Mid (pH 6-8) 0.87 3.33 -29.73 3 3 1 40 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-(3,3-dimethyl-1-piperidyl)tetrahydropyran-4-ol (3R,4S)-3-(3,3-dimethyl-1-piperi…

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) 1.36 3.35 -30.13 2 3 1 34 214.329 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-(3,3-dimethyl-1-piperidyl)tetrahydropyran-4-ol (3S,4S)-3-(3,3-dimethyl-1-piperi…

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) 1.36 3 -29.54 2 3 1 34 214.329 1 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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