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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

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) 2.06 7.94 -47.96 2 4 1 46 309.455 4 ↓
Hi High (pH 8-9.5) 2.06 6.92 -7.34 1 4 0 42 308.447 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) 2.06 7.35 -49.53 2 4 1 46 309.455 4 ↓
Hi High (pH 8-9.5) 2.06 6.88 -7.46 1 4 0 42 308.447 4 ↓

Analogs

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Popular Name: 2,2,6,6-tetramethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 2,2,6,6-tetramethyl-N-[(4R)-4,5,…

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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) 2.98 8.26 -105.1 4 2 2 33 294.508 2 ↓
Mid Mid (pH 6-8) 2.98 7.25 -34.56 3 2 1 29 293.5 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,6,6-tetramethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 2,2,6,6-tetramethyl-N-[(4S)-4,5,…

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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) 2.98 7.62 -99.46 4 2 2 33 294.508 2 ↓
Mid Mid (pH 6-8) 2.98 7.21 -35.09 3 2 1 29 293.5 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-propyl-N-[(4R)-4,5,6,7-tetrahy…

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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) 2.48 8.58 -35.64 2 2 1 16 279.473 4 ↓
Mid Mid (pH 6-8) 2.48 7.36 -37.34 2 2 1 20 279.473 4 ↓
Mid Mid (pH 6-8) 2.48 9.58 -109.17 3 2 2 21 280.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-propyl-N-[(4S)-4,5,6,7-tetrahy…

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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) 2.48 8.54 -36.21 2 2 1 16 279.473 4 ↓
Mid Mid (pH 6-8) 2.48 6.75 -38.95 2 2 1 20 279.473 4 ↓
Mid Mid (pH 6-8) 2.48 8.98 -102.82 3 2 2 21 280.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethylsulfonyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-ethylsulfonyl-N-[(4R)-4,5,6,7-…

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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 5.68 -48.81 2 4 1 54 329.511 4 ↓
Hi High (pH 8-9.5) 1.36 4.67 -11.05 1 4 0 49 328.503 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethylsulfonyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-ethylsulfonyl-N-[(4S)-4,5,6,7-…

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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 5.09 -49.38 2 4 1 54 329.511 4 ↓
Hi High (pH 8-9.5) 1.36 4.62 -10.77 1 4 0 49 328.503 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-methyl-N-[(4R)-4,5,6,7-tetrahy…

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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) 1.61 7.17 -35.92 2 2 1 16 251.419 2 ↓
Mid Mid (pH 6-8) 1.61 5.8 -37.28 2 2 1 20 251.419 2 ↓
Mid Mid (pH 6-8) 1.61 8.18 -106.9 3 2 2 21 252.427 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-methyl-N-[(4S)-4,5,6,7-tetrahy…

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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) 1.61 7.12 -36.45 2 2 1 16 251.419 2 ↓
Mid Mid (pH 6-8) 1.61 5.18 -38.98 2 2 1 20 251.419 2 ↓
Mid Mid (pH 6-8) 1.61 7.57 -101.13 3 2 2 21 252.427 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-methylsulfonyl-N-[(4R)-4,5,6,7…

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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 4.78 -48.75 2 4 1 54 315.484 3 ↓
Hi High (pH 8-9.5) 0.98 3.77 -11.41 1 4 0 49 314.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methylsulfonyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-methylsulfonyl-N-[(4S)-4,5,6,7…

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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 4.19 -49.23 2 4 1 54 315.484 3 ↓
Hi High (pH 8-9.5) 0.98 3.73 -11.17 1 4 0 49 314.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]acetamide N-methyl-2-[4-[[(4R)-4,5,6,7-tet…

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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 4.38 -42.49 3 4 1 49 308.471 4 ↓
Hi High (pH 8-9.5) 1.21 3.37 -9.37 2 4 0 44 307.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]acetamide N-methyl-2-[4-[[(4S)-4,5,6,7-tet…

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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 3.77 -42.37 3 4 1 49 308.471 4 ↓
Hi High (pH 8-9.5) 1.21 3.33 -9.77 2 4 0 44 307.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]ethanone 1-[4-[[(4R)-4,5,6,7-tetrahydrobe…

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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 6.51 -51.66 2 3 1 37 279.429 2 ↓
Hi High (pH 8-9.5) 0.97 6.02 -9.07 1 3 0 32 278.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]ethanone 1-[4-[[(4S)-4,5,6,7-tetrahydrobe…

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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 6.52 -47.18 2 3 1 37 279.429 2 ↓
Hi High (pH 8-9.5) 0.97 6.03 -9.73 1 3 0 32 278.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]acetamide 2-[4-[[(4R)-4,5,6,7-tetrahydrobe…

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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) 0.34 2.89 -42.26 4 4 1 63 294.444 4 ↓
Hi High (pH 8-9.5) 0.34 1.94 -9.06 3 4 0 58 293.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]acetamide 2-[4-[[(4S)-4,5,6,7-tetrahydrobe…

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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) 0.34 2.28 -42.21 4 4 1 63 294.444 4 ↓
Hi High (pH 8-9.5) 0.34 1.8 -8.74 3 4 0 58 293.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-1-[4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]ethanone 2-methoxy-1-[4-[[(4R)-4,5,6,7-te…

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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) 0.91 7.34 -52.83 2 4 1 46 309.455 4 ↓
Hi High (pH 8-9.5) 0.91 6.32 -11.76 1 4 0 42 308.447 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-1-[4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]ethanone 2-methoxy-1-[4-[[(4S)-4,5,6,7-te…

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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) 0.91 6.74 -55.63 2 4 1 46 309.455 4 ↓
Hi High (pH 8-9.5) 0.91 6.28 -11.67 1 4 0 42 308.447 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]propan-1-one 2-methyl-1-[4-[[(4R)-4,5,6,7-tet…

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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) 2.05 8.45 -49.44 2 3 1 37 307.483 3 ↓
Hi High (pH 8-9.5) 2.05 7.44 -8.45 1 3 0 32 306.475 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperidyl]propan-1-one 2-methyl-1-[4-[[(4S)-4,5,6,7-tet…

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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) 2.05 7.89 -52.25 2 3 1 37 307.483 3 ↓
Hi High (pH 8-9.5) 2.05 7.32 -8.43 1 3 0 32 306.475 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-butyl-N-[(4R)-4,5,6,7-tetrahyd…

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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) 3.04 9.36 -36.36 2 2 1 16 293.5 5 ↓
Mid Mid (pH 6-8) 3.04 8.14 -37.27 2 2 1 20 293.5 5 ↓
Mid Mid (pH 6-8) 3.04 10.37 -110.51 3 2 2 21 294.508 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-butyl-N-[(4S)-4,5,6,7-tetrahyd…

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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) 3.04 9.31 -36.96 2 2 1 16 293.5 5 ↓
Mid Mid (pH 6-8) 3.04 7.53 -39 2 2 1 20 293.5 5 ↓
Mid Mid (pH 6-8) 3.04 9.76 -103.92 3 2 2 21 294.508 5 ↓

Analogs

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Popular Name: 1-tert-butyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-tert-butyl-N-[(4R)-4,5,6,7-tet…

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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) 2.79 8.58 -32.49 2 2 1 16 293.5 3 ↓
Mid Mid (pH 6-8) 2.79 7.46 -37.19 2 2 1 20 293.5 3 ↓
Mid Mid (pH 6-8) 2.79 9.58 -106.99 3 2 2 21 294.508 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-tert-butyl-N-[(4S)-4,5,6,7-tet…

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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) 2.79 8.52 -33.11 2 2 1 16 293.5 3 ↓
Mid Mid (pH 6-8) 2.79 8.98 -100.64 3 2 2 21 294.508 3 ↓
Mid Mid (pH 6-8) 2.79 6.85 -38.68 2 2 1 20 293.5 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-ethyl-N-[(4R)-4,5,6,7-tetrahyd…

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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) 1.98 7.84 -34.94 2 2 1 16 265.446 3 ↓
Mid Mid (pH 6-8) 1.98 6.61 -37.2 2 2 1 20 265.446 3 ↓
Mid Mid (pH 6-8) 1.98 8.84 -107.31 3 2 2 21 266.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-ethyl-N-[(4S)-4,5,6,7-tetrahyd…

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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) 1.98 7.79 -35.47 2 2 1 16 265.446 3 ↓
Mid Mid (pH 6-8) 1.98 5.99 -38.88 2 2 1 20 265.446 3 ↓
Mid Mid (pH 6-8) 1.98 8.24 -100.98 3 2 2 21 266.454 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-[(4…

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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) 2.41 8.46 -33.5 2 2 1 16 279.473 2 ↓
Mid Mid (pH 6-8) 2.41 6.86 -38.02 2 2 1 20 279.473 2 ↓
Mid Mid (pH 6-8) 2.41 8.81 -98.43 3 2 2 21 280.481 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-1,2,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine (2S,4S,5R)-1,2,5-trimethyl-N-[(4…

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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) 2.41 8.62 -32.49 2 2 1 16 279.473 2 ↓
Mid Mid (pH 6-8) 2.41 6.56 -33.94 2 2 1 20 279.473 2 ↓
Mid Mid (pH 6-8) 2.41 8.8 -101.98 3 2 2 21 280.481 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-1,2,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine (2R,4R,5R)-1,2,5-trimethyl-N-[(4…

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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) 2.41 8.12 -35.27 2 2 1 16 279.473 2 ↓
Mid Mid (pH 6-8) 2.41 6.69 -35.99 2 2 1 20 279.473 2 ↓
Mid Mid (pH 6-8) 2.41 8.98 -104.72 3 2 2 21 280.481 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-N-[(4…

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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) 2.41 8.43 -34.82 2 2 1 16 279.473 2 ↓
Mid Mid (pH 6-8) 2.41 9.31 -105.02 3 2 2 21 280.481 2 ↓
Mid Mid (pH 6-8) 2.41 7 -36.1 2 2 1 20 279.473 2 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-prop-2-ynyl-N-[(4R)-4,5,6,7-te…

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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) 1.77 7.11 -39.62 2 2 1 20 275.441 3 ↓
Hi High (pH 8-9.5) 1.77 6.1 -3.79 1 2 0 15 274.433 3 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-prop-2-ynyl-N-[(4S)-4,5,6,7-te…

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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) 1.77 6.5 -40.35 2 2 1 20 275.441 3 ↓
Hi High (pH 8-9.5) 1.77 6.06 -4.24 1 2 0 15 274.433 3 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(4R)-4…

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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) 3.28 9.83 -35.66 2 2 1 16 305.511 4 ↓
Mid Mid (pH 6-8) 3.28 10.85 -110.46 3 2 2 21 306.519 4 ↓
Mid Mid (pH 6-8) 3.28 8.58 -37.69 2 2 1 20 305.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methylbut-2-enyl)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(4S)-4…

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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) 3.28 9.7 -36.2 2 2 1 16 305.511 4 ↓
Mid Mid (pH 6-8) 3.28 7.96 -39.07 2 2 1 20 305.511 4 ↓
Mid Mid (pH 6-8) 3.28 10.24 -103.55 3 2 2 21 306.519 4 ↓

Analogs

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Popular Name: 4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]piperidine-1-carboxamide 4-[[(4R)-4,5,6,7-tetrahydrobenzo…

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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) 0.88 4.58 -49.65 4 4 1 63 280.417 2 ↓
Hi High (pH 8-9.5) 0.88 3.65 -10.24 3 4 0 58 279.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]piperidine-1-carboxamide 4-[[(4S)-4,5,6,7-tetrahydrobenzo…

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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) 0.88 3.99 -52.21 4 4 1 63 280.417 2 ↓
Hi High (pH 8-9.5) 0.88 3.46 -9.56 3 4 0 58 279.409 2 ↓

Analogs

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Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 2.53 7.13 -41.29 2 2 1 20 319.416 4 ↓
Hi High (pH 8-9.5) 2.53 6.19 -4.6 1 2 0 15 318.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 2.53 6.51 -43.13 2 2 1 20 319.416 4 ↓
Hi High (pH 8-9.5) 2.53 6.02 -4.04 1 2 0 15 318.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 1.01 5.02 -39.91 3 2 1 29 237.392 2 ↓
Mid Mid (pH 6-8) 1.01 5.96 -110.43 4 2 2 33 238.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperidin-4-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 1.01 4.87 -39.63 3 2 1 29 237.392 2 ↓
Mid Mid (pH 6-8) 1.01 5.35 -104.64 4 2 2 33 238.4 2 ↓

Parameters Provided:

ring.id = 210536
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 = 210536 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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