UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44518327
44518327
44518691
44518691

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Popular Name: N'-benzyl-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-benzyl-N-[(1-methyl-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) 0.73 5.24 -40.79 3 5 1 63 290.387 5 ↓

Analogs

44518327
44518327
44518691
44518691

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Popular Name: N'-[(1-methyl-4-piperidyl)methyl]-N-(p-tolylmethyl)oxamide 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) 1.18 5.91 -40.79 3 5 1 63 304.414 5 ↓

Analogs

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Popular Name: N'-[(4-chlorophenyl)methyl]-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-[(4-chlorophenyl)methyl]-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) 1.40 5.76 -41.52 3 5 1 63 324.832 5 ↓

Analogs

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Popular Name: N'-[(4-fluorophenyl)methyl]-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-[(4-fluorophenyl)methyl]-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) 0.89 5.31 -42.2 3 5 1 63 308.377 5 ↓

Analogs

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Popular Name: N'-[(4-methoxyphenyl)methyl]-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-[(4-methoxyphenyl)methyl]-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) 0.78 4.56 -42.43 3 6 1 72 320.413 6 ↓

Analogs

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Popular Name: N'-[(1-methyl-4-piperidyl)methyl]-N-[(1R)-1-phenylethyl]oxamide 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) 1.29 6.1 -40.85 3 5 1 63 304.414 5 ↓

Analogs

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Popular Name: N'-[(1-methyl-4-piperidyl)methyl]-N-[(1S)-1-phenylethyl]oxamide 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) 1.29 6.09 -40.89 3 5 1 63 304.414 5 ↓

Analogs

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Popular Name: N'-[(2-methoxyphenyl)methyl]-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-[(2-methoxyphenyl)methyl]-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) 0.74 4.56 -40.8 3 6 1 72 320.413 6 ↓

Analogs

44513585
44513585

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Popular Name: N'-[(2-chlorophenyl)methyl]-N-[(1-methyl-4-piperidyl)methyl]oxamide N'-[(2-chlorophenyl)methyl]-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) 1.36 5.68 -41.29 3 5 1 63 324.832 5 ↓

Analogs

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Popular Name: N'-benzyl-N-[(1-isopropyl-4-piperidyl)methyl]oxamide N'-benzyl-N-[(1-isopropyl-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) 1.40 6.22 -39.13 3 5 1 63 318.441 6 ↓

Analogs

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Popular Name: N'-[(4-chlorophenyl)methyl]-N-[(1-isopropyl-4-piperidyl)methyl]oxamide N'-[(4-chlorophenyl)methyl]-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) 2.08 6.74 -39.87 3 5 1 63 352.886 6 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-N'-[(4-methoxyphenyl)methyl]oxamide 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) 1.46 5.54 -40.73 3 6 1 72 348.467 7 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-N'-[(1S)-1-phenylethyl]oxamide 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) 1.96 7.25 -37.24 3 5 1 63 332.468 6 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide 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) 1.96 7.25 -37.2 3 5 1 63 332.468 6 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide 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) 1.41 5.61 -40.25 3 6 1 72 348.467 7 ↓

Analogs

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Popular Name: N'-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-N-(p-tolylmethyl)oxamide N'-[[1-(2-methoxyethyl)-4-piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 5.78 -41.02 3 6 1 72 348.467 8 ↓
Hi High (pH 8-9.5) 1.16 3.44 -7.03 2 6 0 71 347.459 8 ↓

Analogs

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Popular Name: N'-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]oxamide N'-[(4-chlorophenyl)methyl]-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) 1.39 5.63 -41.74 3 6 1 72 368.885 8 ↓
Hi High (pH 8-9.5) 1.39 3.29 -7.27 2 6 0 71 367.877 8 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide 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) 0.77 4.43 -42.64 3 7 1 81 364.466 9 ↓
Hi High (pH 8-9.5) 0.77 2.09 -8.39 2 7 0 80 363.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-N'-[(2-methoxyphenyl)methyl]oxamide 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) 0.72 4.5 -42.14 3 7 1 81 364.466 9 ↓
Hi High (pH 8-9.5) 0.72 2.16 -8.46 2 7 0 80 363.458 9 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-N'-[(3-methoxyphenyl)methyl]oxamide 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) 1.43 5.71 -38.85 3 6 1 72 348.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide 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) 0.74 4.35 -40.35 3 7 1 81 364.466 9 ↓

Parameters Provided:

ring.id = 129474
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 = 129474 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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