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Analogs

20260246
20260246

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2R)-2-ethyl-1-piperidyl]tetralin-1-amine (1S,2R)-2-[(2R)-2-ethyl-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) 1.73 8.25 -30.4 3 2 1 30 259.417 2 ↓
Mid Mid (pH 6-8) 1.73 8.45 -120.91 4 2 2 32 260.425 2 ↓

Analogs

20260246
20260246

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S)-2-ethyl-1-piperidyl]tetralin-1-amine (1S,2R)-2-[(2S)-2-ethyl-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) 1.73 8.09 -29.57 3 2 1 30 259.417 2 ↓
Mid Mid (pH 6-8) 1.73 8.18 -114.91 4 2 2 32 260.425 2 ↓

Analogs

19271428
19271428

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2R)-2-ethyl-1-piperidyl]-6-methoxy-tetralin-1-amine (1S,2R)-2-[(2R)-2-ethyl-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) 1.76 7.76 -125.18 4 3 2 41 290.451 3 ↓
Hi High (pH 8-9.5) 1.76 6.4 -42.39 3 3 1 40 289.443 3 ↓
Mid Mid (pH 6-8) 1.76 7.55 -33.07 3 3 1 40 289.443 3 ↓

Analogs

19271428
19271428

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S)-2-ethyl-1-piperidyl]-6-methoxy-tetralin-1-amine (1S,2R)-2-[(2S)-2-ethyl-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) 1.76 7.48 -119.1 4 3 2 41 290.451 3 ↓
Hi High (pH 8-9.5) 1.76 5.35 -41.12 3 3 1 40 289.443 3 ↓
Mid Mid (pH 6-8) 1.76 7.39 -32.18 3 3 1 40 289.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-2-yl]methanamine [(2R)-2-(4-ethyl-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) 3.42 8.86 -128.17 4 2 2 32 288.479 3 ↓
Hi High (pH 8-9.5) 3.42 7.05 -42.12 3 2 1 31 287.471 3 ↓
Mid Mid (pH 6-8) 3.42 8.5 -33.67 3 2 1 30 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-2-yl]methanamine [(2S)-2-(4-ethyl-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) 3.42 8.84 -129.48 4 2 2 32 288.479 3 ↓
Hi High (pH 8-9.5) 3.42 6.97 -43.84 3 2 1 31 287.471 3 ↓
Mid Mid (pH 6-8) 3.42 8.46 -33.21 3 2 1 30 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-1-amine (1S,2R)-2-(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) 1.85 8.81 -126.54 4 2 2 32 274.452 2 ↓
Hi High (pH 8-9.5) 1.85 6.65 -1.76 2 2 0 29 272.436 2 ↓
Mid Mid (pH 6-8) 1.85 8.51 -34.34 3 2 1 30 273.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-1-amine (1S,2S)-2-(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) 1.85 8.51 -128.1 4 2 2 32 274.452 2 ↓
Hi High (pH 8-9.5) 1.85 6.21 -1.74 2 2 0 29 272.436 2 ↓
Mid Mid (pH 6-8) 1.85 8.2 -35.22 3 2 1 30 273.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-1-amine (1R,2R)-2-(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) 1.85 8.49 -128.2 4 2 2 32 274.452 2 ↓
Hi High (pH 8-9.5) 1.85 5.88 -1.79 2 2 0 29 272.436 2 ↓
Mid Mid (pH 6-8) 1.85 8.09 -32.55 3 2 1 30 273.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-1-amine (1R,2S)-2-(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) 1.85 8.81 -126.37 4 2 2 32 274.452 2 ↓
Hi High (pH 8-9.5) 1.85 6.27 -1.46 2 2 0 29 272.436 2 ↓
Mid Mid (pH 6-8) 1.85 8.48 -32.4 3 2 1 30 273.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-tetralin-1-amine (1S,2R)-2-(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) 4.10 9.37 -35.62 2 2 1 16 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-tetralin-1-amine (1S,2S)-2-(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) 4.10 8.66 -32.36 2 2 1 16 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-tetralin-1-amine (1R,2R)-2-(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) 4.10 8.85 -35.68 2 2 1 16 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-tetralin-1-amine (1R,2S)-2-(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) 4.10 9.43 -31.78 2 2 1 16 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4,4-diethyl-1-piperidyl)tetralin-1-amine (1S,2R)-2-(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) 2.19 9.29 -128.15 4 2 2 32 288.479 3 ↓
Hi High (pH 8-9.5) 2.19 7.12 -1.71 2 2 0 29 286.463 3 ↓
Mid Mid (pH 6-8) 2.19 8.99 -34.88 3 2 1 30 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4,4-diethyl-1-piperidyl)tetralin-1-amine (1S,2S)-2-(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) 2.19 8.98 -129.6 4 2 2 32 288.479 3 ↓
Hi High (pH 8-9.5) 2.19 6.69 -1.68 2 2 0 29 286.463 3 ↓
Mid Mid (pH 6-8) 2.19 8.68 -35.82 3 2 1 30 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4,4-diethyl-1-piperidyl)tetralin-1-amine (1R,2R)-2-(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) 2.19 8.97 -129.73 4 2 2 32 288.479 3 ↓
Hi High (pH 8-9.5) 2.19 6.34 -1.75 2 2 0 29 286.463 3 ↓
Mid Mid (pH 6-8) 2.19 8.57 -33.06 3 2 1 30 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4,4-diethyl-1-piperidyl)tetralin-1-amine (1R,2S)-2-(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) 2.19 9.3 -128.17 4 2 2 32 288.479 3 ↓
Hi High (pH 8-9.5) 2.19 6.73 -1.41 2 2 0 29 286.463 3 ↓
Mid Mid (pH 6-8) 2.19 8.95 -32.89 3 2 1 30 287.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-1-ol (1S,2R)-2-(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) 3.55 8.19 -33.29 2 2 1 25 274.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-1-ol (1S,2S)-2-(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) 3.55 7.96 -33.67 2 2 1 25 274.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-1-ol (1R,2R)-2-(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) 3.55 7.96 -33.73 2 2 1 25 274.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-ethyl-4-methyl-1-piperidyl)tetralin-1-ol (1R,2S)-2-(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) 3.55 8.19 -33.33 2 2 1 25 274.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4,4-diethyl-1-piperidyl)tetralin-1-ol (1S,2R)-2-(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) 3.88 8.66 -33.81 2 2 1 25 288.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4,4-diethyl-1-piperidyl)tetralin-1-ol (1S,2S)-2-(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) 3.88 8.44 -34.22 2 2 1 25 288.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4,4-diethyl-1-piperidyl)tetralin-1-ol (1R,2R)-2-(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) 3.88 8.45 -34.3 2 2 1 25 288.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4,4-diethyl-1-piperidyl)tetralin-1-ol (1R,2S)-2-(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) 3.88 8.66 -33.84 2 2 1 25 288.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(2S)-6-bromotetralin-2-yl]-4-piperidyl]ethanamine 2-[1-[(2S)-6-bromotetralin-2-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) 3.46 9.09 -102.2 4 2 2 32 339.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(2R)-6-bromotetralin-2-yl]-4-piperidyl]ethanamine 2-[1-[(2R)-6-bromotetralin-2-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) 3.46 9.09 -102.23 4 2 2 32 339.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(2S)-tetralin-2-yl]-4-piperidyl]ethanamine 2-[1-[(2S)-tetralin-2-yl]-4-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) 2.67 8.46 -98.23 4 2 2 32 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(2R)-tetralin-2-yl]-4-piperidyl]ethanamine 2-[1-[(2R)-tetralin-2-yl]-4-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) 2.67 8.46 -98.21 4 2 2 32 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(2R)-6-bromotetralin-2-yl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[(2R)-6-bromotetralin-2-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) 4.44 10.96 -98.32 3 2 2 21 353.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(2S)-6-bromotetralin-2-yl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[(2S)-6-bromotetralin-2-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) 4.44 10.96 -98.38 3 2 2 21 353.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[1-[(2R)-tetralin-2-yl]-4-piperidyl]ethanamine N-methyl-2-[1-[(2R)-tetralin-2-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) 3.65 10.33 -94.38 3 2 2 21 274.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[1-[(2S)-tetralin-2-yl]-4-piperidyl]ethanamine N-methyl-2-[1-[(2S)-tetralin-2-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) 3.65 10.33 -94.38 3 2 2 21 274.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2R)-6-bromotetralin-2-yl]-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-[(2R)-6-bromotetralin-…

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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) 4.38 10.54 -110.52 3 2 2 21 353.348 4 ↓
Hi High (pH 8-9.5) 4.38 9.09 -37.97 2 2 1 16 352.34 4 ↓
Mid Mid (pH 6-8) 4.38 9.01 -40.83 2 2 1 20 352.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(2R)-6-bromotetralin-2-yl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[(2R)-6-bromotetralin-…

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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) 4.38 10.5 -110.17 3 2 2 21 353.348 4 ↓
Hi High (pH 8-9.5) 4.38 9.08 -37.88 2 2 1 16 352.34 4 ↓
Mid Mid (pH 6-8) 4.38 8.46 -41.45 2 2 1 20 352.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2S)-1-[(2R)-tetralin-2-yl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[(2R)-tetrali…

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) 3.60 9.9 -106.08 3 2 2 21 274.452 4 ↓
Hi High (pH 8-9.5) 3.60 8.47 -34.54 2 2 1 16 273.444 4 ↓
Mid Mid (pH 6-8) 3.60 8.39 -39.15 2 2 1 20 273.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 3.60 9.87 -105.24 3 2 2 21 274.452 4 ↓
Hi High (pH 8-9.5) 3.60 8.46 -34.6 2 2 1 16 273.444 4 ↓
Mid Mid (pH 6-8) 3.60 7.84 -39.77 2 2 1 20 273.444 4 ↓

Parameters Provided:

ring.id = 139294
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 = 139294 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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