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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

57519
57519
57520
57520
1846199
1846199
34003337
34003337
34003338
34003338

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Popular Name: Eperisone Eperisone

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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) 4.06 10.96 -37.35 1 2 1 22 260.401 5 ↓

Analogs

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Popular Name: 3-[4-(hydroxymethyl)-1-piperidyl]-1-phenyl-propan-1-one 3-[4-(hydroxymethyl)-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) 1.90 6.22 -43.17 2 3 1 42 248.346 5 ↓
Hi High (pH 8-9.5) 1.90 3.98 -8.56 1 3 0 41 247.338 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]-1-phenyl-propan-1-one 3-[(2R)-2-(2-hydroxyethyl)-1-pip…

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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) 2.29 6.65 -41.18 2 3 1 42 262.373 6 ↓
Hi High (pH 8-9.5) 2.29 4.52 -8.6 1 3 0 41 261.365 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]-1-phenyl-propan-1-one 3-[(2S)-2-(2-hydroxyethyl)-1-pip…

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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) 2.29 6.67 -41.27 2 3 1 42 262.373 6 ↓
Hi High (pH 8-9.5) 2.29 4.99 -8.35 1 3 0 41 261.365 6 ↓

Analogs

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Popular Name: 3-(4-methoxy-1-piperidyl)-1-phenyl-propan-1-one 3-(4-methoxy-1-piperidyl)-1-phen…

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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) 1.40 7.93 -42.81 1 3 1 31 248.346 5 ↓
Mid Mid (pH 6-8) 1.40 5.71 -7.02 0 3 0 30 247.338 5 ↓

Analogs

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Popular Name: 3-[4-(dimethylamino)-1-piperidyl]-1-phenyl-propan-1-one 3-[4-(dimethylamino)-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) 2.18 7.69 -39.71 1 3 1 25 261.389 5 ↓
Lo Low (pH 4.5-6) 2.18 9.94 -107.94 2 3 2 26 262.397 5 ↓

Analogs

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Popular Name: 3-[(3R)-3-ethyl-1-piperidyl]-1-phenyl-propan-1-one 3-[(3R)-3-ethyl-1-piperidyl]-1-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) 3.41 10.16 -40.55 1 2 1 22 246.374 5 ↓
Hi High (pH 8-9.5) 3.41 7.93 -5.96 0 2 0 20 245.366 5 ↓

Analogs

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Popular Name: 3-[(3S)-3-ethyl-1-piperidyl]-1-phenyl-propan-1-one 3-[(3S)-3-ethyl-1-piperidyl]-1-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) 3.41 10.17 -40.55 1 2 1 22 246.374 5 ↓
Hi High (pH 8-9.5) 3.41 7.93 -5.99 0 2 0 20 245.366 5 ↓

Analogs

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Popular Name: 3-[(2R,3R)-2,3-dimethyl-1-piperidyl]-1-phenyl-propan-1-one 3-[(2R,3R)-2,3-dimethyl-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) 3.24 9.88 -37.46 1 2 1 22 246.374 4 ↓
Hi High (pH 8-9.5) 3.24 8.14 -5.85 0 2 0 20 245.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,3S)-2,3-dimethyl-1-piperidyl]-1-phenyl-propan-1-one 3-[(2R,3S)-2,3-dimethyl-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) 3.24 9.85 -38.33 1 2 1 22 246.374 4 ↓
Hi High (pH 8-9.5) 3.24 7.74 -5.93 0 2 0 20 245.366 4 ↓

Analogs

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Popular Name: 3-(4-tert-butyl-1-piperidyl)-1-phenyl-propan-1-one 3-(4-tert-butyl-1-piperidyl)-1-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) 4.24 10.95 -42.04 1 2 1 22 274.428 5 ↓
Hi High (pH 8-9.5) 4.24 8.68 -5.88 0 2 0 20 273.42 5 ↓

Analogs

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Popular Name: 1-phenyl-3-(4-propyl-1-piperidyl)propan-1-one 1-phenyl-3-(4-propyl-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) 4.15 10.95 -41.06 1 2 1 22 260.401 6 ↓
Hi High (pH 8-9.5) 4.15 8.71 -5.91 0 2 0 20 259.393 6 ↓

Analogs

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Popular Name: 3-(4-ethoxy-1-piperidyl)-1-phenyl-propan-1-one 3-(4-ethoxy-1-piperidyl)-1-pheny…

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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) 1.78 8.89 -42.76 1 3 1 31 262.373 6 ↓
Hi High (pH 8-9.5) 1.78 6.67 -6.9 0 3 0 30 261.365 6 ↓

Analogs

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Popular Name: 3-[4-(dimethylaminomethyl)-1-piperidyl]-1-phenyl-propan-1-one 3-[4-(dimethylaminomethyl)-1-pip…

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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) 2.56 10.89 -101.39 2 3 2 26 276.424 6 ↓
Hi High (pH 8-9.5) 2.56 8.65 -40.22 1 3 1 25 275.416 6 ↓

Analogs

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Popular Name: 3-[(2R)-2-(hydroxymethyl)-1-piperidyl]-1-phenyl-propan-1-one 3-[(2R)-2-(hydroxymethyl)-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) 2.02 6.22 -36.92 2 3 1 42 248.346 5 ↓
Hi High (pH 8-9.5) 2.02 4 -7.44 1 3 0 41 247.338 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-(hydroxymethyl)-1-piperidyl]-1-phenyl-propan-1-one 3-[(2S)-2-(hydroxymethyl)-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) 2.02 6.22 -36.94 2 3 1 42 248.346 5 ↓
Hi High (pH 8-9.5) 2.02 4 -7.44 1 3 0 41 247.338 5 ↓

Analogs

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Popular Name: 3-(4-ethyl-1-piperidyl)-1-phenyl-propan-1-one 3-(4-ethyl-1-piperidyl)-1-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) 3.60 10.19 -40.81 1 2 1 22 246.374 5 ↓
Hi High (pH 8-9.5) 3.60 7.96 -5.96 0 2 0 20 245.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-3-[(3R)-3-propoxy-1-piperidyl]propan-1-one 1-phenyl-3-[(3R)-3-propoxy-1-pip…

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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) 3.01 9.67 -42.73 1 3 1 31 276.4 7 ↓
Mid Mid (pH 6-8) 3.01 7.44 -7.61 0 3 0 30 275.392 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-3-[(3S)-3-propoxy-1-piperidyl]propan-1-one 1-phenyl-3-[(3S)-3-propoxy-1-pip…

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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) 3.01 9.67 -42.71 1 3 1 31 276.4 7 ↓
Mid Mid (pH 6-8) 3.01 7.44 -7.6 0 3 0 30 275.392 7 ↓

Analogs

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Popular Name: 3-[(3R)-3-ethoxy-1-piperidyl]-1-phenyl-propan-1-one 3-[(3R)-3-ethoxy-1-piperidyl]-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) 2.51 8.87 -42.66 1 3 1 31 262.373 6 ↓
Mid Mid (pH 6-8) 2.51 6.65 -7.72 0 3 0 30 261.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-ethoxy-1-piperidyl]-1-phenyl-propan-1-one 3-[(3S)-3-ethoxy-1-piperidyl]-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) 2.51 8.88 -42.69 1 3 1 31 262.373 6 ↓
Mid Mid (pH 6-8) 2.51 6.65 -7.73 0 3 0 30 261.365 6 ↓

Analogs

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Popular Name: 3-[(2R,4R)-2,4-dimethyl-1-piperidyl]-1-phenyl-propan-1-one 3-[(2R,4R)-2,4-dimethyl-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) 3.24 10.02 -38.69 1 2 1 22 246.374 4 ↓
Hi High (pH 8-9.5) 3.24 7.89 -5.92 0 2 0 20 245.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,4S)-2,4-dimethyl-1-piperidyl]-1-phenyl-propan-1-one 3-[(2R,4S)-2,4-dimethyl-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) 3.24 9.79 -38.47 1 2 1 22 246.374 4 ↓
Hi High (pH 8-9.5) 3.24 7.67 -5.84 0 2 0 20 245.366 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[4-(hydroxymethyl)-1-piperidyl]propan-1-one 1-(4-bromophenyl)-3-[4-(hydroxym…

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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) 2.71 6.85 -45.63 2 3 1 42 327.242 5 ↓
Hi High (pH 8-9.5) 2.71 4.6 -7.89 1 3 0 41 326.234 5 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-[4-(hydroxymethyl)-1-piperidyl]propan-1-one 1-(3-bromophenyl)-3-[4-(hydroxym…

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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) 2.69 6.85 -41.87 2 3 1 42 327.242 5 ↓
Hi High (pH 8-9.5) 2.69 4.6 -6.81 1 3 0 41 326.234 5 ↓

Analogs

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Popular Name: 3-[4-(hydroxymethyl)-1-piperidyl]-1-(p-tolyl)propan-1-one 3-[4-(hydroxymethyl)-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) 2.35 6.9 -43.16 2 3 1 42 262.373 5 ↓
Hi High (pH 8-9.5) 2.35 4.66 -8.43 1 3 0 41 261.365 5 ↓

Analogs

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Popular Name: (2S)-3-[4-(hydroxymethyl)-1-piperidyl]-2-methyl-1-phenyl-propan-1-one (2S)-3-[4-(hydroxymethyl)-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) 2.38 6.83 -37.02 2 3 1 42 262.373 5 ↓
Hi High (pH 8-9.5) 2.38 4.87 -7.4 1 3 0 41 261.365 5 ↓

Analogs

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Popular Name: (2R)-3-[4-(hydroxymethyl)-1-piperidyl]-2-methyl-1-phenyl-propan-1-one (2R)-3-[4-(hydroxymethyl)-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) 2.38 6.82 -40.37 2 3 1 42 262.373 5 ↓
Hi High (pH 8-9.5) 2.38 4.87 -7.46 1 3 0 41 261.365 5 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(3S)-3-(hydroxymethyl)-1-piperidyl]propan-1-one 1-(4-bromophenyl)-3-[(3S)-3-(hyd…

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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) 2.71 6.82 -45.45 2 3 1 42 327.242 5 ↓
Hi High (pH 8-9.5) 2.71 4.61 -7.14 1 3 0 41 326.234 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-3-[(3R)-3-(hydroxymethyl)-1-piperidyl]propan-1-one 1-(4-bromophenyl)-3-[(3R)-3-(hyd…

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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) 2.71 6.82 -45.47 2 3 1 42 327.242 5 ↓
Hi High (pH 8-9.5) 2.71 4.61 -7.14 1 3 0 41 326.234 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-3-[(3S)-3-(hydroxymethyl)-1-piperidyl]propan-1-one 1-(3-bromophenyl)-3-[(3S)-3-(hyd…

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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) 2.69 6.82 -41.92 2 3 1 42 327.242 5 ↓
Hi High (pH 8-9.5) 2.69 4.61 -6.31 1 3 0 41 326.234 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-3-[(3R)-3-(hydroxymethyl)-1-piperidyl]propan-1-one 1-(3-bromophenyl)-3-[(3R)-3-(hyd…

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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) 2.69 6.82 -41.92 2 3 1 42 327.242 5 ↓
Hi High (pH 8-9.5) 2.69 4.61 -6.31 1 3 0 41 326.234 5 ↓

Analogs

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Popular Name: 3-[(3S)-3-(hydroxymethyl)-1-piperidyl]-1-(p-tolyl)propan-1-one 3-[(3S)-3-(hydroxymethyl)-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) 2.35 6.88 -43.04 2 3 1 42 262.373 5 ↓
Hi High (pH 8-9.5) 2.35 4.66 -7.7 1 3 0 41 261.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-(hydroxymethyl)-1-piperidyl]-1-(p-tolyl)propan-1-one 3-[(3R)-3-(hydroxymethyl)-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) 2.35 6.88 -43 2 3 1 42 262.373 5 ↓
Hi High (pH 8-9.5) 2.35 4.66 -7.7 1 3 0 41 261.365 5 ↓

Analogs

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Popular Name: (2S)-3-[(3S)-3-(hydroxymethyl)-1-piperidyl]-2-methyl-1-phenyl-propan-1-one (2S)-3-[(3S)-3-(hydroxymethyl)-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) 2.38 6.78 -41.11 2 3 1 42 262.373 5 ↓
Hi High (pH 8-9.5) 2.38 4.85 -7.41 1 3 0 41 261.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(3S)-3-(hydroxymethyl)-1-piperidyl]-2-methyl-1-phenyl-propan-1-one (2R)-3-[(3S)-3-(hydroxymethyl)-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) 2.38 6.8 -40.98 2 3 1 42 262.373 5 ↓
Hi High (pH 8-9.5) 2.38 4.86 -7.39 1 3 0 41 261.365 5 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-[(3S,5R)-3,5-dimethyl-1-piperidyl]propan-1-one 1-(4-bromophenyl)-3-[(3S,5R)-3,5…

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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) 4.19 10.73 -42.61 1 2 1 22 325.27 4 ↓
Hi High (pH 8-9.5) 4.19 8.5 -5.21 0 2 0 20 324.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-3-[(3S,5S)-3,5-dimethyl-1-piperidyl]propan-1-one 1-(4-bromophenyl)-3-[(3S,5S)-3,5…

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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) 4.19 10.73 -41.69 1 2 1 22 325.27 4 ↓
Hi High (pH 8-9.5) 4.19 8.86 -5.12 0 2 0 20 324.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-3-[(3R,5R)-3,5-dimethyl-1-piperidyl]propan-1-one 1-(4-bromophenyl)-3-[(3R,5R)-3,5…

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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) 4.19 10.73 -41.67 1 2 1 22 325.27 4 ↓
Hi High (pH 8-9.5) 4.19 8.86 -5.09 0 2 0 20 324.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-3-[(3S,5R)-3,5-dimethyl-1-piperidyl]propan-1-one 1-(3-bromophenyl)-3-[(3S,5R)-3,5…

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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) 4.17 10.72 -44.08 1 2 1 22 325.27 4 ↓
Hi High (pH 8-9.5) 4.17 8.49 -6.94 0 2 0 20 324.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-3-[(3S,5S)-3,5-dimethyl-1-piperidyl]propan-1-one 1-(3-bromophenyl)-3-[(3S,5S)-3,5…

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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) 4.17 10.72 -43 1 2 1 22 325.27 4 ↓
Hi High (pH 8-9.5) 4.17 8.85 -6.88 0 2 0 20 324.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-3-[(3R,5R)-3,5-dimethyl-1-piperidyl]propan-1-one 1-(3-bromophenyl)-3-[(3R,5R)-3,5…

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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) 4.17 10.72 -43 1 2 1 22 325.27 4 ↓
Hi High (pH 8-9.5) 4.17 8.85 -6.87 0 2 0 20 324.262 4 ↓

Analogs

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Popular Name: 3-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1-(p-tolyl)propan-1-one 3-[(3S,5R)-3,5-dimethyl-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) 3.83 10.78 -40.24 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 3.83 8.54 -5.81 0 2 0 20 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1-(p-tolyl)propan-1-one 3-[(3S,5S)-3,5-dimethyl-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) 3.83 10.79 -39.24 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 3.83 8.92 -5.7 0 2 0 20 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R,5R)-3,5-dimethyl-1-piperidyl]-1-(p-tolyl)propan-1-one 3-[(3R,5R)-3,5-dimethyl-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) 3.83 10.79 -39.07 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 3.83 8.91 -5.72 0 2 0 20 259.393 4 ↓

Analogs

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Popular Name: (2R)-3-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-1-phenyl-propan-1-one (2R)-3-[(3S,5R)-3,5-dimethyl-1-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) 3.86 10.7 -38.06 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 3.86 8.8 -5.36 0 2 0 20 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-1-phenyl-propan-1-one (2R)-3-[(3S,5S)-3,5-dimethyl-1-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) 3.86 10.72 -36.99 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 3.86 9.15 -5.31 0 2 0 20 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-1-phenyl-propan-1-one (2R)-3-[(3R,5R)-3,5-dimethyl-1-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) 3.86 10.73 -33.88 1 2 1 22 260.401 4 ↓
Hi High (pH 8-9.5) 3.86 9.17 -5.32 0 2 0 20 259.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-3-(4-hydroxy-1-piperidyl)propan-1-one 1-(4-bromophenyl)-3-(4-hydroxy-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) 1.60 6.2 -45.34 2 3 1 42 313.215 4 ↓
Hi High (pH 8-9.5) 1.60 3.97 -7.04 1 3 0 41 312.207 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-3-(4-hydroxy-1-piperidyl)propan-1-one 1-(3-bromophenyl)-3-(4-hydroxy-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) 1.57 6.2 -41.88 2 3 1 42 313.215 4 ↓
Hi High (pH 8-9.5) 1.57 3.97 -6.2 1 3 0 41 312.207 4 ↓

Parameters Provided:

ring.id = 195
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 = 195 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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