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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: 1-(1,4-diazepan-1-yl)-2-(4-propyl-1-piperidyl)ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-(4-propy…

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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) 0.98 5.98 -47.41 2 5 1 57 282.408 3 ↓
Hi High (pH 8-9.5) 0.98 4.72 -11.09 1 5 0 53 281.4 3 ↓

Analogs

39551864
39551864
46598381
46598381
46598383
46598383

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Popular Name: 1-(1,4-diazepan-1-yl)-2-[(2R)-2-ethyl-1-piperidyl]ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-[(2R)-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) 0.36 5.19 -46.8 2 5 1 57 268.381 2 ↓
Hi High (pH 8-9.5) 0.36 3.82 -9.69 1 5 0 53 267.373 2 ↓

Analogs

39551864
39551864
46598381
46598381
46598383
46598383

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,4-diazepan-1-yl)-2-[(2S)-2-ethyl-1-piperidyl]ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-[(2S)-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) 0.36 5.18 -46.36 2 5 1 57 268.381 2 ↓
Hi High (pH 8-9.5) 0.36 3.85 -10.5 1 5 0 53 267.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,4-diazepan-1-yl)-2-(4-ethyl-4-methyl-1-piperidyl)ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-(4-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) 0.48 5.33 -47.3 2 5 1 57 282.408 2 ↓
Hi High (pH 8-9.5) 0.48 4.07 -10.8 1 5 0 53 281.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,4-diazepan-1-yl)-2-(4,4-diethyl-1-piperidyl)ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-(4,4-die…

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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 5.82 -47.33 2 5 1 57 296.435 3 ↓
Hi High (pH 8-9.5) 0.81 4.55 -10.43 1 5 0 53 295.427 3 ↓

Analogs

37819264
37819264
37823658
37823658

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(1,4-diazepan-1-yl)-2-oxo-acetyl]piperidine-4-carboxamide 1-[2-(1,4-diazepan-1-yl)-2-oxo-a…

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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) -1.91 0.65 -50.95 4 7 1 100 283.352 2 ↓
Hi High (pH 8-9.5) -1.91 -0.68 -19.34 3 7 0 96 282.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,4-diazepan-1-yl)-2-[4-(hydroxymethyl)-1-piperidyl]ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-[4-(hydr…

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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) -1.28 1.29 -49.94 3 6 1 77 270.353 2 ↓
Hi High (pH 8-9.5) -1.28 -0.04 -12.41 2 6 0 73 269.345 2 ↓

Analogs

42440508
42440508
42440510
42440510
42440512
42440512

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Popular Name: (3S,6R)-1-[2-(1,4-diazepan-1-yl)-2-oxo-acetyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[2-(1,4-diazepan-1-yl)…

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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) -1.58 1.19 -55.95 4 7 1 100 297.379 2 ↓
Hi High (pH 8-9.5) -1.58 -0.1 -12.84 3 7 0 96 296.371 2 ↓

Analogs

42440510
42440510
42440512
42440512
42440506
42440506

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[2-(1,4-diazepan-1-yl)-2-oxo-acetyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[2-(1,4-diazepan-1-yl)…

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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) -1.58 1.21 -54.56 4 7 1 100 297.379 2 ↓
Hi High (pH 8-9.5) -1.58 -0.11 -12.75 3 7 0 96 296.371 2 ↓

Analogs

42440512
42440512
42440506
42440506
42440508
42440508

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[2-(1,4-diazepan-1-yl)-2-oxo-acetyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[2-(1,4-diazepan-1-yl)…

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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) -1.58 1.21 -51.52 4 7 1 100 297.379 2 ↓
Hi High (pH 8-9.5) -1.58 -0.11 -14.54 3 7 0 96 296.371 2 ↓

Analogs

42440506
42440506
42440508
42440508
42440510
42440510

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[2-(1,4-diazepan-1-yl)-2-oxo-acetyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[2-(1,4-diazepan-1-yl)…

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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) -1.58 1.37 -66.9 4 7 1 100 297.379 2 ↓
Hi High (pH 8-9.5) -1.58 0.17 -17.14 3 7 0 96 296.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[2-(1,4-diazepan-1-yl)-2-oxo-acetyl]-4-piperidyl]acetamide 2-[1-[2-(1,4-diazepan-1-yl)-2-ox…

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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 1.36 -55.64 4 7 1 100 297.379 3 ↓
Hi High (pH 8-9.5) -1.46 0.03 -15.84 3 7 0 96 296.371 3 ↓

Analogs

61269581
61269581
61269582
61269582
36127933
36127933
36127934
36127934

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,4-diazepan-1-yl)-2-[(3S)-3-hydroxy-1-piperidyl]ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-[(3S)-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) -1.66 0.61 -49.37 3 6 1 77 256.326 1 ↓
Hi High (pH 8-9.5) -1.66 -0.69 -11.45 2 6 0 73 255.318 1 ↓

Analogs

61269581
61269581
61269582
61269582
36127933
36127933
36127934
36127934

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,4-diazepan-1-yl)-2-[(3R)-3-hydroxy-1-piperidyl]ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-[(3R)-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) -1.66 0.61 -49.74 3 6 1 77 256.326 1 ↓
Hi High (pH 8-9.5) -1.66 -0.66 -11.46 2 6 0 73 255.318 1 ↓

Parameters Provided:

ring.id = 16984
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 = 16984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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