UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-amino-N-[(1-methyl-4-piperidyl)methyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1-methyl-4-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) 1.66 5.31 -43.87 4 4 1 60 276.404 4 ↓
Mid Mid (pH 6-8) 1.66 5.56 -106.13 5 4 2 61 277.412 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1-methyl-4-piperidyl)methyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1-methyl-4-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) 1.66 5.25 -41.43 4 4 1 60 276.404 4 ↓
Mid Mid (pH 6-8) 1.66 5.56 -107.52 5 4 2 61 277.412 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1-ethyl-4-piperidyl)methyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1-ethyl-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) 2.04 5.9 -40.34 4 4 1 60 290.431 5 ↓
Mid Mid (pH 6-8) 2.04 6.21 -106.35 5 4 2 61 291.439 5 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1-ethyl-4-piperidyl)methyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1-ethyl-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) 2.04 5.98 -43.1 4 4 1 60 290.431 5 ↓
Mid Mid (pH 6-8) 2.04 6.21 -107.7 5 4 2 61 291.439 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1-methyl-4-piperidyl)methyl]acetamide 2-(3-aminophenyl)-N-[(1-methyl-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) 1.08 5.41 -44.27 4 4 1 60 262.377 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1-ethyl-4-piperidyl)methyl]acetamide 2-(3-aminophenyl)-N-[(1-ethyl-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) 1.45 6.07 -43.48 4 4 1 60 276.404 5 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-N-(4-piperidylmethyl)acetamide 2-(3-chlorophenyl)-N-(4-piperidy…

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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 5.83 -48.7 3 3 1 46 267.78 4 ↓

Analogs

44512603
44512603

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Popular Name: 2-(4-methoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]acetamide 2-(4-methoxyphenyl)-N-[(1-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) 2.08 6.89 -47.83 2 4 1 43 277.388 5 ↓

Analogs

44503745
44503745

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Popular Name: 2-(4-chlorophenyl)-N-[(1-methyl-4-piperidyl)methyl]acetamide 2-(4-chlorophenyl)-N-[(1-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) 2.70 8.09 -46.73 2 3 1 34 281.807 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]acetamide 2-(4-fluorophenyl)-N-[(1-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) 2.19 7.65 -47.7 2 3 1 34 265.352 4 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]acetamide 2-(4-ethoxyphenyl)-N-[(1-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) 2.46 7.81 -47.69 2 4 1 43 291.415 6 ↓

Analogs

53140314
53140314

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Popular Name: N-[(1-methyl-4-piperidyl)methyl]-2-(m-tolyl)acetamide N-[(1-methyl-4-piperidyl)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) 2.45 8.23 -45.85 2 3 1 34 261.389 4 ↓

Analogs

12442781
12442781

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-piperidyl)methyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[(1-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) 1.67 6.8 -51.03 2 5 1 52 307.414 6 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-[(1-isopropyl-4-piperidyl)methyl]acetamide 2-(4-ethoxyphenyl)-N-[(1-isoprop…

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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) 3.13 8.8 -45.85 2 4 1 43 319.469 7 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]acetamide 2-(4-ethoxyphenyl)-N-[[1-(2-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) 2.44 7.69 -47.96 2 5 1 52 335.468 9 ↓
Hi High (pH 8-9.5) 2.44 5.34 -12.94 1 5 0 51 334.46 9 ↓

Analogs

32205687
32205687

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-2-(m-tolyl)acetamide N-[[1-(2-methoxyethyl)-4-piperid…

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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) 2.44 8.1 -46.1 2 4 1 43 305.442 7 ↓
Hi High (pH 8-9.5) 2.44 5.76 -11.48 1 4 0 42 304.434 7 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[[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) 1.66 6.67 -51.33 2 6 1 61 351.467 9 ↓
Hi High (pH 8-9.5) 1.66 4.33 -15.9 1 6 0 60 350.459 9 ↓

Analogs

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Popular Name: 2-(2-bromophenyl)-N-[(1-methyl-4-piperidyl)methyl]acetamide 2-(2-bromophenyl)-N-[(1-methyl-4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.79 8.04 -42.93 2 3 1 34 326.258 4 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-N-(4-piperidylmethyl)acetamide 2-(2-methoxyphenyl)-N-(4-piperid…

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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) 1.44 4.67 -48.8 3 4 1 55 263.361 5 ↓

Analogs

38572868
38572868

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-2-(3-methoxyphenyl)acetamide N-[(1-isopropyl-4-piperidyl)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) 2.73 8.02 -43.39 2 4 1 43 305.442 6 ↓

Analogs

38572873
38572873

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Popular Name: 2-(2-chlorophenyl)-N-[(1-isopropyl-4-piperidyl)methyl]acetamide 2-(2-chlorophenyl)-N-[(1-isoprop…

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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) 3.33 9.16 -40.91 2 3 1 34 309.861 5 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-2-(4-nitrophenyl)acetamide N-[(1-isopropyl-4-piperidyl)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) 2.66 9.44 -48.72 2 6 1 79 320.413 6 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-2-(4-isopropylsulfanylphenyl)acetamide N-[(1-isopropyl-4-piperidyl)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) 3.87 11.36 -42.74 2 3 1 34 349.564 7 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-2-(3-methoxyphenyl)acetamide N-[[1-(2-methoxyethyl)-4-piperid…

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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) 2.04 6.67 -45.26 2 5 1 52 321.441 8 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]acetamide 2-(2-chlorophenyl)-N-[[1-(2-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) 2.64 7.81 -42.74 2 4 1 43 325.86 7 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-2-(4-nitrophenyl)acetamide N-[[1-(2-methoxyethyl)-4-piperid…

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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) 1.97 8.09 -50.62 2 7 1 89 336.412 8 ↓

Analogs

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Popular Name: 2-(4-isopropylsulfanylphenyl)-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]acetamide 2-(4-isopropylsulfanylphenyl)-N-…

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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) 3.18 9.79 -45 2 4 1 43 365.563 9 ↓

Analogs

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Popular Name: 2-(4-isopropylsulfonylphenyl)-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]acetamide 2-(4-isopropylsulfonylphenyl)-N-…

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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) 1.62 6.39 -51.01 2 6 1 77 397.561 9 ↓

Parameters Provided:

ring.id = 30597
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 = 30597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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