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Popular Name: 1-[(2S)-1,4-dioxane-2-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-1,4-dioxane-2-carbonyl]-…

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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) -0.44 4.45 -51.93 0 6 -1 79 256.278 2 ↓

Analogs

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Popular Name: 1-[(2R)-1,4-dioxane-2-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-1,4-dioxane-2-carbonyl]-…

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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) -0.44 4.41 -51.05 0 6 -1 79 256.278 2 ↓

Analogs

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Popular Name: 1-[(2S)-1,4-dioxane-2-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2S)-1,4-dioxane-2-carbonyl]-…

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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) -0.11 4.87 -49.96 0 6 -1 79 270.305 3 ↓

Analogs

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Popular Name: 1-[(2R)-1,4-dioxane-2-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2R)-1,4-dioxane-2-carbonyl]-…

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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) -0.11 4.9 -50.6 0 6 -1 79 270.305 3 ↓

Analogs

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Popular Name: 1-[(2S)-1,4-dioxane-2-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(2S)-1,4-dioxane-2-carbonyl]-…

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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 5.63 -50.31 0 6 -1 79 284.332 4 ↓

Analogs

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Popular Name: 1-[(2R)-1,4-dioxane-2-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(2R)-1,4-dioxane-2-carbonyl]-…

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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 5.63 -50.65 0 6 -1 79 284.332 4 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-1,4-dioxane-2-carbonyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(2S)-1,4-dioxane-2-carbo…

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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) -0.44 4.89 -44.38 0 6 -1 79 256.278 2 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-1,4-dioxane-2-carbonyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(2S)-1,4-dioxane-2-carbo…

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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) -0.44 4.83 -54.81 0 6 -1 79 256.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-1,4-dioxane-2-carbonyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(2R)-1,4-dioxane-2-carbo…

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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) -0.44 4.86 -54.69 0 6 -1 79 256.278 2 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-1,4-dioxane-2-carbonyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(2R)-1,4-dioxane-2-carbo…

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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) -0.44 4.84 -44.08 0 6 -1 79 256.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2S)-1,4-dioxane-2-carbonyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[(2S)-1,4-dioxane-2-carbo…

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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) -0.11 5.38 -43.41 0 6 -1 79 270.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S)-1,4-dioxane-2-carbonyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[(2S)-1,4-dioxane-2-carbo…

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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) -0.11 5.29 -54.15 0 6 -1 79 270.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-1,4-dioxane-2-carbonyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[(2R)-1,4-dioxane-2-carbo…

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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) -0.11 5.36 -53.95 0 6 -1 79 270.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-1,4-dioxane-2-carbonyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[(2R)-1,4-dioxane-2-carbo…

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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) -0.11 5.3 -42.94 0 6 -1 79 270.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2S)-1,4-dioxane-2-carbonyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(2S)-1,4-dioxane-2-carbo…

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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 6.12 -43.71 0 6 -1 79 284.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S)-1,4-dioxane-2-carbonyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(2S)-1,4-dioxane-2-carbo…

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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 6.06 -54.68 0 6 -1 79 284.332 4 ↓

Analogs

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Popular Name: (3S)-1-[(2R)-1,4-dioxane-2-carbonyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(2R)-1,4-dioxane-2-carbo…

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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 6.11 -54.56 0 6 -1 79 284.332 4 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-1,4-dioxane-2-carbonyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(2R)-1,4-dioxane-2-carbo…

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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 6.07 -43.29 0 6 -1 79 284.332 4 ↓

Analogs

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Popular Name: [(3R,4R)-3-amino-4-methyl-1-piperidyl]-[(2S)-1,4-dioxan-2-yl]methanone [(3R,4R)-3-amino-4-methyl-1-pipe…

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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) -0.97 1.26 -49.52 3 5 1 66 229.3 1 ↓
Hi High (pH 8-9.5) -0.97 1.41 -10.91 2 5 0 65 228.292 1 ↓

Analogs

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Popular Name: [(3R,4S)-3-amino-4-methyl-1-piperidyl]-[(2S)-1,4-dioxan-2-yl]methanone [(3R,4S)-3-amino-4-methyl-1-pipe…

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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) -0.97 1.48 -49.64 3 5 1 66 229.3 1 ↓
Hi High (pH 8-9.5) -0.97 1.18 -10.1 2 5 0 65 228.292 1 ↓

Analogs

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Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-[(2S)-1,4-dioxan-2-yl]methanone [(3S,4R)-3-amino-4-methyl-1-pipe…

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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) -0.97 1.51 -59.15 3 5 1 66 229.3 1 ↓
Hi High (pH 8-9.5) -0.97 1.25 -10.02 2 5 0 65 228.292 1 ↓

Analogs

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Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-[(2S)-1,4-dioxan-2-yl]methanone [(3S,4S)-3-amino-4-methyl-1-pipe…

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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) -0.97 1.29 -59 3 5 1 66 229.3 1 ↓
Hi High (pH 8-9.5) -0.97 1.6 -9.29 2 5 0 65 228.292 1 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-[(2S)-1,4-dioxan-2-yl]methanone [4-(2-aminoethyl)-1-piperidyl]-[…

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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) -0.68 2.22 -56.25 3 5 1 66 243.327 3 ↓

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-[(2R)-1,4-dioxan-2-yl]methanone [4-(2-aminoethyl)-1-piperidyl]-[…

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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) -0.68 2.22 -54.22 3 5 1 66 243.327 3 ↓

Analogs

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Popular Name: [(2S)-1,4-dioxan-2-yl]-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone [(2S)-1,4-dioxan-2-yl]-[4-[2-(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) 0.30 4.12 -51.38 2 5 1 55 257.354 4 ↓

Analogs

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Popular Name: [(2R)-1,4-dioxan-2-yl]-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone [(2R)-1,4-dioxan-2-yl]-[4-[2-(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) 0.30 4.1 -51.46 2 5 1 55 257.354 4 ↓

Analogs

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Popular Name: [(2S)-1,4-dioxan-2-yl]-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone [(2S)-1,4-dioxan-2-yl]-[(2S)-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) 0.24 3.93 -37.72 2 5 1 55 257.354 4 ↓

Analogs

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Popular Name: [(2S)-1,4-dioxan-2-yl]-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone [(2S)-1,4-dioxan-2-yl]-[(2R)-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) 0.24 3.88 -38.04 2 5 1 55 257.354 4 ↓

Analogs

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Popular Name: [(2R)-1,4-dioxan-2-yl]-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone [(2R)-1,4-dioxan-2-yl]-[(2S)-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) 0.24 3.9 -38.03 2 5 1 55 257.354 4 ↓

Analogs

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Popular Name: [(2R)-1,4-dioxan-2-yl]-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]methanone [(2R)-1,4-dioxan-2-yl]-[(2R)-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) 0.24 3.89 -37.8 2 5 1 55 257.354 4 ↓

Analogs

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Popular Name: ethyl 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) 1.72 2.34 -12.69 1 7 0 77 286.328 4 ↓

Analogs

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Popular Name: ethyl 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) 1.72 2.33 -12.72 1 7 0 77 286.328 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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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 = 39196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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