UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11815898
11815898
12590850
12590850
12590857
12590857

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Popular Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxy-6-methoxy-phenyl)methyl]-3-piperidyl]methanone (3,4-dimethoxyphenyl)-[(3S)-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) 3.26 7.51 -40.19 2 6 1 69 386.468 7 ↓
Hi High (pH 8-9.5) 3.26 8.27 -34.23 1 6 0 72 385.46 7 ↓

Analogs

12590850
12590850
12590857
12590857
11815897
11815897

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Popular Name: (3,4-dimethoxyphenyl)-[(3R)-1-[(2-hydroxy-6-methoxy-phenyl)methyl]-3-piperidyl]methanone (3,4-dimethoxyphenyl)-[(3R)-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) 3.26 7.51 -39.94 2 6 1 69 386.468 7 ↓
Hi High (pH 8-9.5) 3.26 8.27 -35.05 1 6 0 72 385.46 7 ↓

Analogs

11816407
11816407
39306637
39306637
39306639
39306639

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Popular Name: (2-methoxyphenyl)-[(3S)-1-[(2-methoxyphenyl)methyl]-3-piperidyl]methanone (2-methoxyphenyl)-[(3S)-1-[(2-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) 3.68 11.71 -38.04 1 4 1 40 340.443 6 ↓

Analogs

39306637
39306637
39306639
39306639
11816406
11816406

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Popular Name: (2-methoxyphenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidyl]methanone (2-methoxyphenyl)-[(3R)-1-[(2-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) 3.68 11.57 -36.96 1 4 1 40 340.443 6 ↓

Analogs

11818122
11818122

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Popular Name: (4-chloro-2-methyl-phenyl)-[(3R)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]methanone (4-chloro-2-methyl-phenyl)-[(3R)…

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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) 4.69 0.45 -39.09 2 4 1 51 374.888 5 ↓

Analogs

11818121
11818121

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Popular Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]methanone (4-chloro-2-methyl-phenyl)-[(3S)…

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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) 4.69 0.25 -44.71 2 4 1 51 374.888 5 ↓

Analogs

11838317
11838317

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Popular Name: [(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-piperidyl]-[4-(trifluoromethyl)phenyl]methanone [(3R)-1-[[4-(2-hydroxyethoxy)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) 3.98 1.37 -48.86 2 4 1 51 408.44 8 ↓

Analogs

11838316
11838316

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Popular Name: [(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-piperidyl]-[4-(trifluoromethyl)phenyl]methanone [(3S)-1-[[4-(2-hydroxyethoxy)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) 3.98 1.22 -53.5 2 4 1 51 408.44 8 ↓

Analogs

11839146
11839146

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Popular Name: [(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone [(3R)-1-[[4-ethoxy-3-(hydroxymet…

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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) 3.79 -0.71 -44.29 2 4 1 51 400.564 8 ↓

Analogs

11839144
11839144

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Popular Name: [(3S)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone [(3S)-1-[[4-ethoxy-3-(hydroxymet…

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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) 3.79 -0.6 -43.83 2 4 1 51 400.564 8 ↓

Analogs

11839976
11839976

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Popular Name: [(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-piperidyl]-(3-methoxyphenyl)methanone [(3R)-1-[[4-ethoxy-3-(hydroxymet…

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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) 3.39 -0.17 -44.2 2 5 1 60 384.496 8 ↓

Analogs

11839974
11839974

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Popular Name: [(3S)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-piperidyl]-(3-methoxyphenyl)methanone [(3S)-1-[[4-ethoxy-3-(hydroxymet…

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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) 3.39 -0.44 -53.11 2 5 1 60 384.496 8 ↓

Analogs

11840195
11840195

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Popular Name: N-[4-[[(3R)-3-(2-methoxybenzoyl)-1-piperidyl]methyl]phenyl]acetamide N-[4-[[(3R)-3-(2-methoxybenzoyl)…

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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) 2.89 1.59 -48.53 2 5 1 60 367.469 6 ↓

Analogs

11840193
11840193

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Popular Name: N-[4-[[(3S)-3-(2-methoxybenzoyl)-1-piperidyl]methyl]phenyl]acetamide N-[4-[[(3S)-3-(2-methoxybenzoyl)…

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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) 2.89 1.71 -48.06 2 5 1 60 367.469 6 ↓

Analogs

11840364
11840364

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Popular Name: [(3R)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]-(4-methoxy-3,5-dimethyl-phenyl)methanone [(3R)-1-[(2-hydroxy-5-methoxy-ph…

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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) 4.45 1.3 -39.8 2 5 1 60 384.496 6 ↓

Analogs

11840362
11840362

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Popular Name: [(3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]-(4-methoxy-3,5-dimethyl-phenyl)methanone [(3S)-1-[(2-hydroxy-5-methoxy-ph…

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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) 4.45 1.25 -43.89 2 5 1 60 384.496 6 ↓

Analogs

11840547
11840547

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Popular Name: (3,4-dimethoxyphenyl)-[(3R)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-piperidyl]methanone (3,4-dimethoxyphenyl)-[(3R)-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) 3.15 0.82 -51.94 2 5 1 60 408.518 7 ↓

Analogs

11840546
11840546

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Popular Name: (3,4-dimethoxyphenyl)-[(3S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-piperidyl]methanone (3,4-dimethoxyphenyl)-[(3S)-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) 3.15 0.83 -52.2 2 5 1 60 408.518 7 ↓

Analogs

11840806
11840806

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Popular Name: N-[4-[[(3R)-3-(5-chloro-2-methoxy-benzoyl)-1-piperidyl]methyl]phenyl]acetamide N-[4-[[(3R)-3-(5-chloro-2-methox…

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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 1.54 -46.62 2 5 1 60 401.914 6 ↓

Analogs

11840803
11840803

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Popular Name: N-[4-[[(3S)-3-(5-chloro-2-methoxy-benzoyl)-1-piperidyl]methyl]phenyl]acetamide N-[4-[[(3S)-3-(5-chloro-2-methox…

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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 1.54 -46.81 2 5 1 60 401.914 6 ↓

Analogs

11840945
11840945

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Popular Name: (3,4-dimethoxyphenyl)-[(3R)-1-[(3-fluorophenyl)methyl]-3-piperidyl]methanone (3,4-dimethoxyphenyl)-[(3R)-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) 3.45 3.19 -49.15 1 4 1 40 358.433 6 ↓

Analogs

11840944
11840944

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Popular Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-fluorophenyl)methyl]-3-piperidyl]methanone (3,4-dimethoxyphenyl)-[(3S)-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) 3.45 3.2 -49.31 1 4 1 40 358.433 6 ↓

Analogs

11841398
11841398

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Popular Name: (2,4-dimethoxyphenyl)-[(3R)-1-(p-tolylmethyl)-3-piperidyl]methanone (2,4-dimethoxyphenyl)-[(3R)-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) 4.15 2.91 -47.73 1 4 1 40 354.47 6 ↓

Analogs

11841397
11841397

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Popular Name: (2,4-dimethoxyphenyl)-[(3S)-1-(p-tolylmethyl)-3-piperidyl]methanone (2,4-dimethoxyphenyl)-[(3S)-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) 4.15 3.08 -43.22 1 4 1 40 354.47 6 ↓

Analogs

11841827
11841827

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Popular Name: [(3R)-1-[(2-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone [(3R)-1-[(2-chloro-4-hydroxy-5-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) 4.04 0.07 -43.24 2 4 1 51 406.955 6 ↓

Analogs

11841825
11841825

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Popular Name: [(3S)-1-[(2-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone [(3S)-1-[(2-chloro-4-hydroxy-5-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) 4.04 0.07 -44.01 2 4 1 51 406.955 6 ↓

Analogs

11843565
11843565

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Popular Name: [(3S)-1-[(2,4-dimethoxyphenyl)methyl]-3-piperidyl]-(2-methoxyphenyl)methanone [(3S)-1-[(2,4-dimethoxyphenyl)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) 3.71 3.12 -40.21 1 5 1 49 370.469 7 ↓

Analogs

11843564
11843564

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Popular Name: [(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-piperidyl]-(2-methoxyphenyl)methanone [(3R)-1-[(2,4-dimethoxyphenyl)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) 3.71 2.88 -39.04 1 5 1 49 370.469 7 ↓

Analogs

11843927
11843927
14977377
14977377
14977379
14977379

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Popular Name: (3-chlorophenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-piperidyl]methanone (3-chlorophenyl)-[(3S)-1-[(2,6-d…

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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 10.95 -35.72 1 4 1 40 374.888 6 ↓

Analogs

14977377
14977377
14977379
14977379
11843926
11843926

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Popular Name: (3-chlorophenyl)-[(3R)-1-[(2,6-dimethoxyphenyl)methyl]-3-piperidyl]methanone (3-chlorophenyl)-[(3R)-1-[(2,6-d…

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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 10.95 -35.62 1 4 1 40 374.888 6 ↓

Analogs

11844234
11844234

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Popular Name: (4-chlorophenyl)-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-3-piperidyl]methanone (4-chlorophenyl)-[(3S)-1-[(2,4-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.38 10.96 -41.24 1 4 1 40 374.888 6 ↓

Analogs

11844233
11844233

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Popular Name: (4-chlorophenyl)-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-piperidyl]methanone (4-chlorophenyl)-[(3R)-1-[(2,4-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.38 10.82 -40.1 1 4 1 40 374.888 6 ↓

Analogs

11844298
11844298

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Popular Name: (4-chloro-2-methyl-phenyl)-[(3R)-1-[(4-hydroxy-2-methoxy-phenyl)methyl]-3-piperidyl]methanone (4-chloro-2-methyl-phenyl)-[(3R)…

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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) 4.22 0.39 -39.71 2 4 1 51 374.888 5 ↓

Analogs

11844297
11844297

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Popular Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-[(4-hydroxy-2-methoxy-phenyl)methyl]-3-piperidyl]methanone (4-chloro-2-methyl-phenyl)-[(3S)…

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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) 4.22 0.51 -41.48 2 4 1 51 374.888 5 ↓

Analogs

11996939
11996939

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Popular Name: [3-(trifluoromethyl)phenyl]-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidyl]methanone [3-(trifluoromethyl)phenyl]-[(3R…

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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) 4.36 5.27 -47.11 1 5 1 49 438.466 8 ↓

Analogs

11996936
11996936

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Popular Name: [3-(trifluoromethyl)phenyl]-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidyl]methanone [3-(trifluoromethyl)phenyl]-[(3S…

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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) 4.36 5.2 -54.96 1 5 1 49 438.466 8 ↓

Analogs

11999746
11999746

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Popular Name: (4-chloro-2-methyl-phenyl)-[(3R)-1-[(2-hydroxy-6-methoxy-phenyl)methyl]-3-piperidyl]methanone (4-chloro-2-methyl-phenyl)-[(3R)…

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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) 4.67 0.42 -35.8 2 4 1 51 374.888 5 ↓

Analogs

11999745
11999745

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Popular Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-[(2-hydroxy-6-methoxy-phenyl)methyl]-3-piperidyl]methanone (4-chloro-2-methyl-phenyl)-[(3S)…

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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) 4.67 0.4 -39.72 2 4 1 51 374.888 5 ↓

Analogs

12001392
12001392

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Popular Name: [(3R)-1-[(3-chlorophenyl)methyl]-3-piperidyl]-(2,5-difluorophenyl)methanone [(3R)-1-[(3-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) 4.57 3.34 -44.27 1 2 1 22 350.816 4 ↓

Analogs

12001385
12001385

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Popular Name: [(3S)-1-[(3-chlorophenyl)methyl]-3-piperidyl]-(2,5-difluorophenyl)methanone [(3S)-1-[(3-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) 4.57 12.24 -44.68 1 2 1 22 350.816 4 ↓

Analogs

12003855
12003855
39306715
39306715
39306717
39306717

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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) 3.84 12.79 -51.19 1 5 1 57 368.453 7 ↓

Analogs

39306715
39306715
39306717
39306717
12003849
12003849

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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) 3.84 12.8 -51.27 1 5 1 57 368.453 7 ↓

Analogs

12005586
12005586

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Popular Name: [(3R)-1-[(4-fluorophenyl)methyl]-3-piperidyl]-(3-methoxyphenyl)methanone [(3R)-1-[(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) 3.86 10.95 -48.3 1 3 1 31 328.407 5 ↓

Analogs

12005583
12005583

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Popular Name: [(3S)-1-[(4-fluorophenyl)methyl]-3-piperidyl]-(3-methoxyphenyl)methanone [(3S)-1-[(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) 3.86 10.95 -48.5 1 3 1 31 328.407 5 ↓

Analogs

12020320
12020320

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Popular Name: [(3R)-1-[(2,4-difluorophenyl)methyl]-3-piperidyl]-(3-fluoro-4-methoxy-phenyl)methanone [(3R)-1-[(2,4-difluorophenyl)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) 4.07 11.14 -44.44 1 3 1 31 364.387 5 ↓

Analogs

12020313
12020313

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Popular Name: [(3S)-1-[(2,4-difluorophenyl)methyl]-3-piperidyl]-(3-fluoro-4-methoxy-phenyl)methanone [(3S)-1-[(2,4-difluorophenyl)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) 4.07 10.94 -45.29 1 3 1 31 364.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]-3-piperidyl]-(2-methylsulfanylphenyl)methanone [(3R)-1-[(2-hydroxy-3-methoxy-ph…

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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) 3.59 9.88 -43.34 2 4 1 51 372.51 6 ↓
Hi High (pH 8-9.5) 3.59 10.73 -35.36 1 4 0 54 371.502 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]-3-piperidyl]-(2-methylsulfanylphenyl)methanone [(3S)-1-[(2-hydroxy-3-methoxy-ph…

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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) 3.59 9.91 -39.7 2 4 1 51 372.51 6 ↓
Hi High (pH 8-9.5) 3.59 10.79 -36.16 1 4 0 54 371.502 6 ↓

Analogs

12023443
12023443

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Popular Name: (2,5-difluorophenyl)-[(3R)-1-[(2-ethoxyphenyl)methyl]-3-piperidyl]methanone (2,5-difluorophenyl)-[(3R)-1-[(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) 4.30 12.08 -37.09 1 3 1 31 360.424 6 ↓

Analogs

12023438
12023438

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Popular Name: (2,5-difluorophenyl)-[(3S)-1-[(2-ethoxyphenyl)methyl]-3-piperidyl]methanone (2,5-difluorophenyl)-[(3S)-1-[(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) 4.30 12.23 -38.28 1 3 1 31 360.424 6 ↓

Parameters Provided:

ring.id = 48465
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 = 48465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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