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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

42681432
42681432

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-1,4-diazepan-1-yl)-(4-methyl-4-piperidyl)methanone (4-methyl-1,4-diazepan-1-yl)-(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) 0.28 5.55 -92.08 3 4 2 41 241.379 1 ↓
Hi High (pH 8-9.5) 0.28 3.55 -39.72 2 4 1 40 240.371 1 ↓

Analogs

42681432
42681432

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-diazepan-1-yl-(4-methyl-4-piperidyl)methanone 1,4-diazepan-1-yl-(4-methyl-4-pi…

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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) -0.32 3.36 -96.57 4 4 2 54 227.352 1 ↓
Hi High (pH 8-9.5) -0.32 2.07 -39.47 3 4 1 49 226.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-methylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4-methylpiperidine-4-carbo…

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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) -0.99 2.36 -96.81 5 6 2 84 284.404 3 ↓
Hi High (pH 8-9.5) -0.99 0.74 -46.49 4 6 1 83 283.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(4-methyl-4-piperidyl)methanone [4-(2-methoxyethyl)-1,4-diazepan…

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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) 0.26 5.36 -92.47 3 5 2 51 285.432 4 ↓
Hi High (pH 8-9.5) 0.26 3.43 -41.43 2 5 1 49 284.424 4 ↓

Analogs

42681432
42681432

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-methylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(4-methylpiperidine-4-carbo…

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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) 0.48 5.14 -55.08 2 5 1 57 282.408 2 ↓

Analogs

42681432
42681432

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-methylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(4-methylpiperidine-4-carbo…

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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) -0.36 4.34 -47.93 2 5 1 57 268.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-methylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]acetic 2-[4-(4-methylpiperidine-4-carbo…

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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 6.23 -72.65 3 6 1 81 284.38 3 ↓
Hi High (pH 8-9.5) -1.39 4.65 -69.39 2 6 0 80 283.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethyl-4-piperidyl)-(4-methyl-1,4-diazepan-1-yl)methanone (4-ethyl-4-piperidyl)-(4-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) 0.61 5.97 -86.79 3 4 2 41 255.406 2 ↓
Hi High (pH 8-9.5) 0.61 3.65 -41.68 2 4 1 40 254.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-1,4-diazepan-1-yl)-(4-propyl-4-piperidyl)methanone (4-methyl-1,4-diazepan-1-yl)-(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) 1.17 6.73 -87.35 3 4 2 41 269.433 3 ↓
Hi High (pH 8-9.5) 1.17 4.39 -41.99 2 4 1 40 268.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-diazepan-1-yl-(4-ethyl-4-piperidyl)methanone 1,4-diazepan-1-yl-(4-ethyl-4-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) 0.02 3.78 -90.56 4 4 2 54 241.379 2 ↓
Hi High (pH 8-9.5) 0.02 2.17 -41.27 3 4 1 49 240.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-diazepan-1-yl-(4-propyl-4-piperidyl)methanone 1,4-diazepan-1-yl-(4-propyl-4-pi…

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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) 0.58 4.55 -91.29 4 4 2 54 255.406 3 ↓
Hi High (pH 8-9.5) 0.58 2.9 -41.61 3 4 1 49 254.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-ethylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4-ethylpiperidine-4-carbon…

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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) -0.66 2.78 -89 5 6 2 84 298.431 4 ↓
Hi High (pH 8-9.5) -0.66 1.14 -45.98 4 6 1 83 297.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethyl-4-piperidyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (4-ethyl-4-piperidyl)-[4-(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) 0.60 5.8 -85.11 3 5 2 51 299.459 5 ↓
Hi High (pH 8-9.5) 0.60 3.88 -42.7 2 5 1 49 298.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-ethylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(4-ethylpiperidine-4-carbon…

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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) 0.81 5.66 -56.11 2 5 1 57 296.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-ethylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(4-ethylpiperidine-4-carbon…

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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) -0.03 4.75 -49.67 2 5 1 57 282.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-propylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(4-propylpiperidine-4-carbo…

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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) 0.53 5.36 -44.64 2 5 1 57 296.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-ethylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]acetic 2-[4-(4-ethylpiperidine-4-carbon…

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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) -1.06 6.66 -73.23 3 6 1 81 298.407 4 ↓
Hi High (pH 8-9.5) -1.06 5.04 -75.99 2 6 0 80 297.399 4 ↓

Analogs

37325728
37325728
20217824
20217824
35738389
35738389

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide N,N-dimethyl-2-[4-(piperidine-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) -1.06 5.71 -102.35 3 6 2 62 298.431 3 ↓
Hi High (pH 8-9.5) -1.06 3.95 -55.89 2 6 1 60 297.423 3 ↓

Analogs

37325728
37325728
20217824
20217824
35738389
35738389

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(piperidine-4-carbonyl)-1,4…

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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) -1.24 2.3 -95.18 5 6 2 84 270.377 3 ↓
Hi High (pH 8-9.5) -1.24 0.68 -51.96 4 6 1 83 269.369 3 ↓

Analogs

20217824
20217824
35738389
35738389

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(4-piperidyl)methanone [4-(2-methoxyethyl)-1,4-diazepan…

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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) 0.02 5.33 -91.64 3 5 2 51 271.405 4 ↓

Parameters Provided:

ring.id = 286835
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 = 286835 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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