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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[2-(4-propoxyphenyl)ethyl]piperidine 4-[2-(4-propoxyphenyl)ethyl]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) 3.96 8.54 -40.22 2 2 1 26 248.39 6 ↓

Analogs

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Popular Name: 4-[2-(3-propoxyphenyl)ethyl]piperidine 4-[2-(3-propoxyphenyl)ethyl]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) 3.94 8.54 -39.32 2 2 1 26 248.39 6 ↓

Analogs

11813545
11813545

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Popular Name: N-[(1S)-1-(1-but-2-ynoyl-4-piperidyl)-2-(3-methoxyphenyl)ethyl]-N,3-dimethyl-butanamide N-[(1S)-1-(1-but-2-ynoyl-4-piper…

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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) 4.24 3.69 -13.27 0 5 0 50 398.547 7 ↓

Analogs

11813543
11813543

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Popular Name: N-[(1R)-1-(1-but-2-ynoyl-4-piperidyl)-2-(3-methoxyphenyl)ethyl]-N,3-dimethyl-butanamide N-[(1R)-1-(1-but-2-ynoyl-4-piper…

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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) 4.24 3.81 -17.43 0 5 0 50 398.547 7 ↓

Analogs

11840837
11840837

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Popular Name: methyl 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) 1.70 4.1 -48.33 1 7 1 71 418.558 10 ↓

Analogs

11840835
11840835

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Popular Name: methyl 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) 1.70 4.06 -46.61 1 7 1 71 418.558 10 ↓

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) 3.67 11.28 -12.02 0 4 0 47 327.424 6 ↓

Analogs

11998112
11998112

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Popular Name: N-[(1S)-2-(3-methoxyphenyl)-1-[1-[(E)-4-methylpent-2-enoyl]-4-piperidyl]ethyl]-N,3-dimethyl-butanami N-[(1S)-2-(3-methoxyphenyl)-1-[1…

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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) 4.42 3.79 -11.95 0 5 0 50 428.617 9 ↓

Analogs

11998109
11998109

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Popular Name: N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(E)-4-methylpent-2-enoyl]-4-piperidyl]ethyl]-N,3-dimethyl-butanami N-[(1R)-2-(3-methoxyphenyl)-1-[1…

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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) 4.42 3.47 -19.17 0 5 0 50 428.617 9 ↓

Analogs

12023459
12023459

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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) 4.23 3.4 -33.19 1 3 1 31 350.548 9 ↓

Analogs

12023454
12023454

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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) 4.23 3.54 -39.75 1 3 1 31 350.548 9 ↓

Analogs

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Popular Name: 1-[4-[2-(p-tolyl)ethyl]-1-piperidyl]prop-2-en-1-one 1-[4-[2-(p-tolyl)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) 4.03 9.88 -9.15 0 2 0 20 257.377 4 ↓

Analogs

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Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-2-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidyl]-N-methyl-acetamide N-[2-(tert-butylamino)-2-oxo-eth…

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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) 4.20 11.29 -44.04 2 6 1 63 418.602 10 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-oxo-2-[4-[2-(p-tolyl)ethyl]-1-piperidyl]ethyl]acetamide N-[(1R)-1-methyl-2-oxo-2-[4-[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) 2.87 8.4 -10.36 1 4 0 49 316.445 5 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-oxo-2-[4-[2-(p-tolyl)ethyl]-1-piperidyl]ethyl]acetamide N-[(1S)-1-methyl-2-oxo-2-[4-[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) 2.87 8.4 -10.44 1 4 0 49 316.445 5 ↓

Analogs

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Popular Name: N-[(1R)-2-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidyl]-1-methyl-2-oxo-ethyl]acetamide N-[(1R)-2-[4-[2-(4-ethoxyphenyl)…

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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) 2.85 7.97 -11.89 1 5 0 59 346.471 7 ↓

Analogs

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Popular Name: N-[(1S)-2-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidyl]-1-methyl-2-oxo-ethyl]acetamide N-[(1S)-2-[4-[2-(4-ethoxyphenyl)…

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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) 2.85 7.97 -11.89 1 5 0 59 346.471 7 ↓

Analogs

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Popular Name: (2R)-3-chloro-2-methyl-1-[4-[2-(p-tolyl)ethyl]-1-piperidyl]propan-1-one (2R)-3-chloro-2-methyl-1-[4-[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) 4.74 11.2 -7.26 0 2 0 20 307.865 5 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-1-[4-[2-(p-tolyl)ethyl]-1-piperidyl]propan-1-one (2S)-3-chloro-2-methyl-1-[4-[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) 4.74 11.25 -7.11 0 2 0 20 307.865 5 ↓

Analogs

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Popular Name: 4-(hydroxymethyl)-N,N-dimethyl-4-phenethyl-piperidine-1-sulfonamide 4-(hydroxymethyl)-N,N-dimethyl-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) 1.89 3.59 -11.03 1 5 0 61 326.462 6 ↓

Analogs

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Popular Name: (2S)-2-bromo-1-[4-[2-(p-tolyl)ethyl]-1-piperidyl]butan-1-one (2S)-2-bromo-1-[4-[2-(p-tolyl)et…

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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) 4.99 11.42 -8.03 0 2 0 20 352.316 5 ↓

Analogs

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Popular Name: (2R)-2-bromo-1-[4-[2-(p-tolyl)ethyl]-1-piperidyl]butan-1-one (2R)-2-bromo-1-[4-[2-(p-tolyl)et…

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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) 4.99 11.43 -8.14 0 2 0 20 352.316 5 ↓

Analogs

14251377
14251377

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Popular Name: (2R)-2-[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]-N-(isopropylcarbamoyl)propanamide (2R)-2-[4-[2-(4-hydroxyphenyl)et…

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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) 2.90 7.47 -52.22 4 6 1 83 362.494 6 ↓

Analogs

14251375
14251375

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Popular Name: (2S)-2-[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]-N-(isopropylcarbamoyl)propanamide (2S)-2-[4-[2-(4-hydroxyphenyl)et…

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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) 2.90 7.46 -51.63 4 6 1 83 362.494 6 ↓

Analogs

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Popular Name: 4-[2-(4-nitrophenyl)ethyl]piperidine-4-carboxylic 4-[2-(4-nitrophenyl)ethyl]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) 1.75 8.26 -67.41 2 6 0 103 278.308 5 ↓

Analogs

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Popular Name: 4-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxylic 4-[2-(2-nitrophenyl)ethyl]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) 1.70 7.93 -72.37 2 6 0 103 278.308 5 ↓

Analogs

34963559
34963559

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Popular Name: 4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-piperidine 4-[2-[4-(difluoromethoxy)phenyl]…

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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) 3.70 7.23 -42.34 2 2 1 26 270.343 5 ↓

Analogs

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Popular Name: 4-methyl-4-phenethyl-piperidine 4-methyl-4-phenethyl-piperidine

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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) 3.09 7.65 -39.09 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: 4-[2-(4-methoxyphenyl)ethyl]-4-methyl-piperidine 4-[2-(4-methoxyphenyl)ethyl]-4-m…

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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) 3.14 6.95 -41.03 2 2 1 26 234.363 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-phenylpropyl]piperidine 4-[(2S)-2-phenylpropyl]piperidine

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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) 3.58 7.86 -38.8 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: 4-[(2R)-2-phenylpropyl]piperidine 4-[(2R)-2-phenylpropyl]piperidine

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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) 3.58 7.86 -38.78 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: N-carbamoyl-4-[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]butanamide N-carbamoyl-4-[4-[2-(4-hydroxyph…

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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 5.43 -57.61 5 6 1 97 334.44 7 ↓

Analogs

44509646
44509646

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Popular Name: 2-[(4-phenethyl-1-piperidyl)sulfonyl]acetonitrile 2-[(4-phenethyl-1-piperidyl)sulf…

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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) 2.78 6.98 -17.68 0 4 0 61 292.404 5 ↓

Analogs

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Popular Name: N-[2-[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]ethyl]methanesulfonamide N-[2-[4-[2-(4-hydroxyphenyl)ethy…

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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) 2.30 3.66 -52.94 3 5 1 71 327.47 7 ↓
Hi High (pH 8-9.5) 2.30 1.44 -13.02 2 5 0 70 326.462 7 ↓

Analogs

36156695
36156695

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Popular Name: 4-[2-(2,5-dimethylphenyl)ethyl]piperidine 4-[2-(2,5-dimethylphenyl)ethyl]p…

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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) 3.85 8.71 -39.08 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (1S)-2-(o-tolyl)-1-(4-piperidyl)ethanol (1S)-2-(o-tolyl)-1-(4-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) 2.08 4.7 -43.04 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: 1-isopropylsulfonyl-4-[2-(p-tolyl)ethyl]piperidine 1-isopropylsulfonyl-4-[2-(p-toly…

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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) 4.18 8.58 -10.76 0 3 0 37 309.475 5 ↓

Analogs

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Popular Name: 1-propylsulfonyl-4-[2-(p-tolyl)ethyl]piperidine 1-propylsulfonyl-4-[2-(p-tolyl)e…

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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) 4.32 8.71 -10.95 0 3 0 37 309.475 6 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[4-[2-(p-tolyl)ethyl]-1-piperidyl]ethanone 2,2,2-trifluoro-1-[4-[2-(p-tolyl…

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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) 4.32 9.7 -6.45 0 2 0 20 299.336 4 ↓

Analogs

36157257
36157257

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Popular Name: 4-[2-(2,5-difluorophenyl)ethyl]piperidine 4-[2-(2,5-difluorophenyl)ethyl]p…

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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 7.61 -39.47 2 1 1 17 226.29 3 ↓

Analogs

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Popular Name: 4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidine 4-[2-(3,4,5-trimethoxyphenyl)eth…

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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) 2.66 6.63 -47.04 2 4 1 44 280.388 6 ↓

Analogs

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Popular Name: 4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine 4-[2-[4-(trifluoromethoxy)phenyl…

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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) 3.99 7.31 -40.48 2 2 1 26 274.306 5 ↓

Analogs

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Popular Name: 4-[2-[2-(trifluoromethoxy)phenyl]ethyl]piperidine 4-[2-[2-(trifluoromethoxy)phenyl…

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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) 3.95 7.36 -39.91 2 2 1 26 274.306 5 ↓

Analogs

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Popular Name: 4-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine 4-[2-(2,3,4-trimethoxyphenyl)eth…

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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) 2.85 6.7 -44.85 2 4 1 44 280.388 6 ↓

Analogs

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Popular Name: 4-[2-[4-(difluoromethoxy)-3-ethoxy-phenyl]ethyl]piperidine 4-[2-[4-(difluoromethoxy)-3-etho…

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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) 3.60 7.91 -44.73 2 3 1 35 300.369 7 ↓

Analogs

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Popular Name: 4-[2-[3-(difluoromethoxy)-4-methoxy-phenyl]ethyl]piperidine 4-[2-[3-(difluoromethoxy)-4-meth…

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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) 3.23 7 -43.2 2 3 1 35 286.342 6 ↓

Analogs

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Popular Name: 1-ethyl-4-phenethyl-piperidin-4-ol 1-ethyl-4-phenethyl-piperidin-4-ol

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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) 2.87 7.31 -34.4 2 2 1 25 234.363 4 ↓

Analogs

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Popular Name: 4-phenethyl-1-propyl-piperidin-4-ol 4-phenethyl-1-propyl-piperidin-4-ol

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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) 3.37 8.05 -35.02 2 2 1 25 248.39 5 ↓

Analogs

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Popular Name: 1-isopropyl-4-phenethyl-piperidin-4-ol 1-isopropyl-4-phenethyl-piperidi…

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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) 3.17 7.83 -32.94 2 2 1 25 248.39 4 ↓

Parameters Provided:

ring.id = 35540
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 = 35540 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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