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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: 2-[[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methyl]-4-methoxy-phenol 2-[[(3S)-3-[(4-fluorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 -0.36 -45.8 3 4 1 54 360.449 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methyl]-4-methoxy-phenol 2-[[(3R)-3-[(4-fluorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 -0.33 -44.89 3 4 1 54 360.449 6 ↓

Analogs

11814203
11814203

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Popular Name: [(3S)-1-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-3-[(3-chlorophenyl)methyl]-3-piperidyl]methanol [(3S)-1-[(2-chloro-4,5-dimethoxy…

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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) 4.29 10.36 -44.62 2 4 1 43 425.376 7 ↓

Analogs

11814201
11814201

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Popular Name: [(3R)-1-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-3-[(3-chlorophenyl)methyl]-3-piperidyl]methanol [(3R)-1-[(2-chloro-4,5-dimethoxy…

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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) 4.29 10.33 -45.01 2 4 1 43 425.376 7 ↓

Analogs

11816403
11816403

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Popular Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-[(2,4,6-trimethoxyphenyl)methyl]-3-piperidyl]methanol [(3R)-3-[(3-methoxyphenyl)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) 3.45 0.94 -36.39 2 6 1 62 416.538 9 ↓

Analogs

11816402
11816402

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Popular Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-[(2,4,6-trimethoxyphenyl)methyl]-3-piperidyl]methanol [(3S)-3-[(3-methoxyphenyl)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) 3.45 0.94 -36.64 2 6 1 62 416.538 9 ↓

Analogs

11816417
11816417

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Popular Name: [(3R)-1-[(2-chlorophenyl)methyl]-3-(o-tolylmethyl)-3-piperidyl]methanol [(3R)-1-[(2-chlorophenyl)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) 4.42 10.83 -37.69 2 2 1 25 344.906 5 ↓

Analogs

11816416
11816416

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Popular Name: [(3S)-1-[(2-chlorophenyl)methyl]-3-(o-tolylmethyl)-3-piperidyl]methanol [(3S)-1-[(2-chlorophenyl)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) 4.42 10.61 -37.89 2 2 1 25 344.906 5 ↓

Analogs

11816482
11816482

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-piperidyl]methanol [(3S)-3-[(2-fluorophenyl)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) 3.54 0.77 -30.52 2 3 1 34 344.45 6 ↓

Analogs

11816481
11816481

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Popular Name: [(3R)-3-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-piperidyl]methanol [(3R)-3-[(2-fluorophenyl)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) 3.54 1.24 -42.27 2 3 1 34 344.45 6 ↓

Analogs

11817285
11817285

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidyl]methanol [(3S)-1-[(2-fluoro-4-methoxy-phe…

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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) 3.57 1.14 -44.63 2 4 1 43 374.476 7 ↓

Analogs

11817284
11817284

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidyl]methanol [(3R)-1-[(2-fluoro-4-methoxy-phe…

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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) 3.57 1 -43.95 2 4 1 43 374.476 7 ↓

Analogs

11838254
11838254

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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) 3.73 3.66 -51.05 2 5 1 60 431.503 8 ↓

Analogs

11838253
11838253

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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) 3.73 3.55 -39.39 2 5 1 60 431.503 8 ↓

Analogs

11839940
11839940

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1,3-bis(o-tolylmethyl)-3-piperidyl]methanol [(3R)-1,3-bis(o-tolylmethyl)-3-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) 4.19 1.36 -41.18 2 2 1 25 324.488 5 ↓

Analogs

11839939
11839939

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1,3-bis(o-tolylmethyl)-3-piperidyl]methanol [(3S)-1,3-bis(o-tolylmethyl)-3-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) 4.19 0.77 -42.01 2 2 1 25 324.488 5 ↓

Analogs

11840622
11840622

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidyl]methanol [(3S)-1-[[2-(difluoromethoxy)phe…

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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 1.76 -43.32 2 4 1 43 392.466 8 ↓

Analogs

11840620
11840620

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidyl]methanol [(3R)-1-[[2-(difluoromethoxy)phe…

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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 1.9 -44.51 2 4 1 43 392.466 8 ↓

Analogs

11840795
11840795
39306719
39306719
39306721
39306721

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) 4.13 4.11 -38.85 1 4 1 48 380.508 8 ↓

Analogs

39306719
39306719
39306721
39306721
11840793
11840793

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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) 4.13 13.82 -44.92 1 4 1 48 380.508 8 ↓

Analogs

11842740
11842740

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidyl]methanol [(3R)-1-[(2-chlorophenyl)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) 4.05 9.89 -38.6 2 3 1 34 360.905 6 ↓

Analogs

11842739
11842739

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidyl]methanol [(3S)-1-[(2-chlorophenyl)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) 4.05 9.91 -38.76 2 3 1 34 360.905 6 ↓

Analogs

11842845
11842845

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Popular Name: [(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidyl]methanol [(3S)-3-benzyl-1-[(2,4,5-trimeth…

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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) 3.02 1.08 -42.97 2 5 1 52 386.512 8 ↓

Analogs

11842844
11842844

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidyl]methanol [(3R)-3-benzyl-1-[(2,4,5-trimeth…

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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) 3.02 1.22 -43.79 2 5 1 52 386.512 8 ↓

Analogs

11843689
11843689

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Popular Name: [(3S)-3-[(4-fluorophenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidyl]methanol [(3S)-3-[(4-fluorophenyl)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) 3.38 9.45 -49.61 2 5 1 52 404.502 8 ↓

Analogs

11843688
11843688

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Popular Name: [(3R)-3-[(4-fluorophenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidyl]methanol [(3R)-3-[(4-fluorophenyl)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) 3.38 9.41 -49.04 2 5 1 52 404.502 8 ↓

Analogs

11843782
11843782

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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) 4.01 11.14 -50.02 2 6 1 69 428.549 9 ↓

Analogs

11843781
11843781

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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) 4.01 10.82 -52.32 2 6 1 69 428.549 9 ↓

Analogs

11998326
11998326

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Popular Name: [(3R)-3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]-3-piperidyl]methanol [(3R)-3-[(2-fluorophenyl)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) 3.85 10.01 -38.25 2 2 1 25 368.394 5 ↓

Analogs

11998323
11998323

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(2-fluorophenyl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]-3-piperidyl]methanol [(3S)-3-[(2-fluorophenyl)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) 3.85 9.49 -30.44 2 2 1 25 368.394 5 ↓

Analogs

11998889
11998889
39304750
39304750
39304753
39304753

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) 3.76 1.88 -40.92 2 5 1 60 384.496 8 ↓

Analogs

11998887
11998887

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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) 3.76 1.79 -43.22 2 5 1 60 384.496 8 ↓

Analogs

11999707
11999707

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[(4-fluorophenyl)methyl]-1-[(4-isopropoxyphenyl)methyl]-3-piperidyl]methanol [(3R)-3-[(4-fluorophenyl)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) 4.35 11.01 -47.93 2 3 1 34 372.504 7 ↓

Analogs

11999703
11999703

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(4-fluorophenyl)methyl]-1-[(4-isopropoxyphenyl)methyl]-3-piperidyl]methanol [(3S)-3-[(4-fluorophenyl)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) 4.35 11.01 -47.88 2 3 1 34 372.504 7 ↓

Analogs

12000184
12000184

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Popular Name: [(3R)-3-benzyl-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-piperidyl]methanol [(3R)-3-benzyl-1-[(4-methoxy-2,3…

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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 1.44 -43.64 2 3 1 34 354.514 6 ↓

Analogs

12000182
12000182

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Popular Name: [(3S)-3-benzyl-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-piperidyl]methanol [(3S)-3-benzyl-1-[(4-methoxy-2,3…

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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 1.36 -43.58 2 3 1 34 354.514 6 ↓

Analogs

12000267
12000267
12430835
12430835
12430836
12430836
39306281
39306281

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-[(4-fluorophenyl)methyl]-3-piperidyl]methanol [(3R)-1-[(2-chloro-4-fluoro-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) 4.32 10.6 -46.28 2 2 1 25 366.859 5 ↓

Analogs

12430835
12430835
12430836
12430836
39306281
39306281
12000263
12000263

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-[(4-fluorophenyl)methyl]-3-piperidyl]methanol [(3S)-1-[(2-chloro-4-fluoro-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) 4.32 10.75 -46.44 2 2 1 25 366.859 5 ↓

Analogs

12005538
12005538
36767213
36767213
36767214
36767214
36767215
36767215
36767216
36767216

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-benzyl-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-piperidyl]methanol [(3R)-3-benzyl-1-[(2-fluoro-4-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 0.98 -42.39 2 3 1 34 344.45 6 ↓

Analogs

36767213
36767213
36767214
36767214
36767215
36767215
36767216
36767216
12005536
12005536

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Popular Name: [(3S)-3-benzyl-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-piperidyl]methanol [(3S)-3-benzyl-1-[(2-fluoro-4-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 1.12 -42.35 2 3 1 34 344.45 6 ↓

Analogs

12021068
12021068

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Popular Name: 2-chloro-4-[[(3R)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methyl]phenol 2-chloro-4-[[(3R)-3-[(2-fluoroph…

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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) 3.89 -1.1 -49.09 3 3 1 45 364.868 5 ↓

Analogs

12021064
12021064

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Popular Name: 2-chloro-4-[[(3S)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]methyl]phenol 2-chloro-4-[[(3S)-3-[(2-fluoroph…

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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) 3.89 -1.53 -38.16 3 3 1 45 364.868 5 ↓

Analogs

12210090
12210090

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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) 4.06 1 -41.88 2 5 1 60 412.55 10 ↓

Analogs

12210083
12210083

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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) 4.06 0.98 -43.18 2 5 1 60 412.55 10 ↓

Analogs

12223812
12223812
39306315
39306315
39306317
39306317

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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) 3.67 10.38 -51.04 2 4 1 51 372.46 7 ↓

Analogs

39306315
39306315
39306317
39306317
12223808
12223808

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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) 3.67 10.1 -42.41 2 4 1 51 372.46 7 ↓

Analogs

12226670
12226670

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Popular Name: [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-[(2-fluorophenyl)methyl]-3-piperidyl]methanol [(3R)-1-[(2,5-dimethylphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.33 1.8 -40.75 2 2 1 25 342.478 5 ↓

Analogs

12226663
12226663

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Popular Name: [(3S)-1-[(2,5-dimethylphenyl)methyl]-3-[(2-fluorophenyl)methyl]-3-piperidyl]methanol [(3S)-1-[(2,5-dimethylphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.33 1.92 -38.27 2 2 1 25 342.478 5 ↓

Analogs

12227876
12227876

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Popular Name: [(3R)-3-benzyl-1-[(4-methylsulfanylphenyl)methyl]-3-piperidyl]methanol [(3R)-3-benzyl-1-[(4-methylsulfa…

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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) 3.82 0.24 -44.84 2 2 1 25 342.528 6 ↓

Analogs

12227870
12227870

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Popular Name: [(3S)-3-benzyl-1-[(4-methylsulfanylphenyl)methyl]-3-piperidyl]methanol [(3S)-3-benzyl-1-[(4-methylsulfa…

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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) 3.82 11.12 -44.62 2 2 1 25 342.528 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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