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Analogs

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Popular Name: 1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-amine 1-[(1-propyltetrazol-5-yl)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) -0.63 0.88 -51.89 3 6 1 74 225.32 4 ↓

Analogs

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Popular Name: 1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-amine 1-[(1-butyltetrazol-5-yl)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) -0.07 1.66 -52.1 3 6 1 74 239.347 5 ↓

Analogs

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Popular Name: 1-[(1-butyltetrazol-5-yl)methyl]-4-methyl-piperidine-4-carboxylic 1-[(1-butyltetrazol-5-yl)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) 0.93 7.51 -71.71 1 7 0 88 281.36 6 ↓
Hi High (pH 8-9.5) 0.93 5.23 -55.09 0 7 -1 87 280.352 6 ↓

Analogs

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Popular Name: 4-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-4-carboxylic 4-methyl-1-[(1-propyltetrazol-5-…

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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) 0.37 6.73 -71.19 1 7 0 88 267.333 5 ↓
Hi High (pH 8-9.5) 0.37 4.45 -54.66 0 7 -1 87 266.325 5 ↓

Analogs

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Popular Name: 1-[(1-butyltetrazol-5-yl)methyl]-4-ethyl-piperidine-4-carboxylic 1-[(1-butyltetrazol-5-yl)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) 1.26 8.11 -57.11 1 7 0 88 295.387 7 ↓
Hi High (pH 8-9.5) 1.26 5.83 -52.5 0 7 -1 87 294.379 7 ↓

Analogs

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Popular Name: 4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-4-carboxylic 4-ethyl-1-[(1-propyltetrazol-5-y…

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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) 0.70 7.33 -56.78 1 7 0 88 281.36 6 ↓
Hi High (pH 8-9.5) 0.70 5.05 -52.48 0 7 -1 87 280.352 6 ↓

Analogs

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Popular Name: 4-propyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-4-carboxylic 4-propyl-1-[(1-propyltetrazol-5-…

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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) 1.26 7.67 -71.03 1 7 0 88 295.387 7 ↓
Hi High (pH 8-9.5) 1.26 5.44 -54.79 0 7 -1 87 294.379 7 ↓

Analogs

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Popular Name: (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(1-butyltetrazol-5-yl)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) 0.93 7.69 -51.94 1 7 0 88 281.36 6 ↓
Hi High (pH 8-9.5) 0.93 5.81 -45.65 0 7 -1 87 280.352 6 ↓

Analogs

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Popular Name: (3S)-1-[(1-butyltetrazol-5-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(1-butyltetrazol-5-yl)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) 0.93 7.61 -52.78 1 7 0 88 281.36 6 ↓
Hi High (pH 8-9.5) 0.93 5.84 -44.42 0 7 -1 87 280.352 6 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(1-propyltetraz…

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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) 0.37 6.91 -51.81 1 7 0 88 267.333 5 ↓
Hi High (pH 8-9.5) 0.37 5.03 -45.49 0 7 -1 87 266.325 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylic (3S)-3-methyl-1-[(1-propyltetraz…

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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) 0.37 6.83 -52.46 1 7 0 88 267.333 5 ↓
Hi High (pH 8-9.5) 0.37 5.06 -44.56 0 7 -1 87 266.325 5 ↓

Analogs

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Popular Name: (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[(1-butyltetrazol-5-yl)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) 1.26 8.25 -52.85 1 7 0 88 295.387 7 ↓
Hi High (pH 8-9.5) 1.26 6.37 -46.2 0 7 -1 87 294.379 7 ↓

Analogs

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Popular Name: (3S)-1-[(1-butyltetrazol-5-yl)methyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[(1-butyltetrazol-5-yl)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) 1.26 8.2 -40.83 1 7 0 88 295.387 7 ↓
Hi High (pH 8-9.5) 1.26 6.41 -42.95 0 7 -1 87 294.379 7 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(1-propyltetrazo…

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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) 0.70 7.46 -52.72 1 7 0 88 281.36 6 ↓
Hi High (pH 8-9.5) 0.70 5.59 -46.12 0 7 -1 87 280.352 6 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(1-propyltetrazo…

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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) 0.70 7.42 -40.94 1 7 0 88 281.36 6 ↓
Hi High (pH 8-9.5) 0.70 5.69 -43.34 0 7 -1 87 280.352 6 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylic (3S)-3-propyl-1-[(1-propyltetraz…

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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) 1.26 8.18 -41.25 1 7 0 88 295.387 7 ↓
Hi High (pH 8-9.5) 1.26 6.63 -44.77 0 7 -1 87 294.379 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxylic (3R)-3-propyl-1-[(1-propyltetraz…

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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) 1.26 8.08 -51.5 1 7 0 88 295.387 7 ↓
Hi High (pH 8-9.5) 1.26 6.26 -44.24 0 7 -1 87 294.379 7 ↓

Analogs

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Popular Name: N-methyl-N-[1-[(1-propyltetrazol-5-yl)methyl]-4-piperidyl]ethanesulfonamide N-methyl-N-[1-[(1-propyltetrazol…

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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) 0.28 4.5 -64.03 1 8 1 85 331.466 7 ↓
Mid Mid (pH 6-8) 0.28 2.23 -20.2 0 8 0 84 330.458 7 ↓

Analogs

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Popular Name: (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]-2-piperidyl]ethanol (1R)-1-[(2R)-1-[(1-propyltetrazo…

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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) 0.73 3.8 -42.3 2 6 1 68 254.358 5 ↓
Hi High (pH 8-9.5) 0.73 1.9 -9.69 1 6 0 67 253.35 5 ↓

Analogs

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Popular Name: (1R)-1-[(2S)-1-[(1-propyltetrazol-5-yl)methyl]-2-piperidyl]ethanol (1R)-1-[(2S)-1-[(1-propyltetrazo…

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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) 0.73 3.86 -41.56 2 6 1 68 254.358 5 ↓
Hi High (pH 8-9.5) 0.73 1.51 -9.22 1 6 0 67 253.35 5 ↓

Analogs

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Popular Name: 2-[1-[(1-butyltetrazol-5-yl)methyl]-4-piperidyl]ethanamine 2-[1-[(1-butyltetrazol-5-yl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 5.32 -111.31 4 6 2 76 268.409 7 ↓
Mid Mid (pH 6-8) 0.70 3.04 -52.97 3 6 1 74 267.401 7 ↓

Analogs

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Popular Name: 2-[1-[(1-propyltetrazol-5-yl)methyl]-4-piperidyl]ethanamine 2-[1-[(1-propyltetrazol-5-yl)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) 0.14 4.47 -111.59 4 6 2 76 254.382 6 ↓
Mid Mid (pH 6-8) 0.14 2.32 -52.95 3 6 1 74 253.374 6 ↓

Analogs

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Popular Name: 2-[1-[(1-butyltetrazol-5-yl)methyl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[(1-butyltetrazol-5-yl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 7.13 -108.68 3 6 2 65 282.436 8 ↓
Mid Mid (pH 6-8) 1.68 4.98 -48.41 2 6 1 63 281.428 8 ↓

Analogs

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Popular Name: N-methyl-2-[1-[(1-propyltetrazol-5-yl)methyl]-4-piperidyl]ethanamine N-methyl-2-[1-[(1-propyltetrazol…

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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) 1.12 6.35 -107.62 3 6 2 65 268.409 7 ↓
Mid Mid (pH 6-8) 1.12 4.2 -48.32 2 6 1 63 267.401 7 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(1-butyltetrazol-5-yl)methyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[(1-butyltetrazol-5-yl…

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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 4.82 -59.23 2 6 1 63 281.428 8 ↓
Lo Low (pH 4.5-6) 1.62 7.02 -126.96 3 6 2 65 282.436 8 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-[(1-butyltetrazol-5-yl…

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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 4.75 -57.88 2 6 1 63 281.428 8 ↓
Lo Low (pH 4.5-6) 1.62 6.92 -128.04 3 6 2 65 282.436 8 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-[(1-propyltet…

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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) 1.06 4.04 -58.57 2 6 1 63 267.401 7 ↓
Lo Low (pH 4.5-6) 1.06 6.24 -125.23 3 6 2 65 268.409 7 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-[(1-propyltetrazol-5-yl)methyl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[(1-propyltet…

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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) 1.06 3.97 -57.33 2 6 1 63 267.401 7 ↓
Lo Low (pH 4.5-6) 1.06 6.14 -126.15 3 6 2 65 268.409 7 ↓

Parameters Provided:

ring.id = 110449
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 = 110449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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