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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: (1R,2S)-N-tert-butyl-2-(4-methyl-1,4-diazepane-1-carbonyl)cyclohexanecarboxamide (1R,2S)-N-tert-butyl-2-(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) 2.27 8.8 -42.77 2 5 1 54 324.489 3 ↓
Hi High (pH 8-9.5) 2.27 6.9 -11.93 1 5 0 53 323.481 3 ↓

Analogs

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Popular Name: [(1R,2S)-2-aminocyclohexyl]-(4-methyl-1,4-diazepan-1-yl)methanone [(1R,2S)-2-aminocyclohexyl]-(4-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) 0.47 5.1 -88.42 4 4 2 52 241.379 1 ↓
Hi High (pH 8-9.5) 0.47 3.05 -41.3 3 4 1 51 240.371 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-aminocyclohexyl]-(4-methyl-1,4-diazepan-1-yl)methanone [(1S,2S)-2-aminocyclohexyl]-(4-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) 0.47 5.22 -91.3 4 4 2 52 241.379 1 ↓
Hi High (pH 8-9.5) 0.47 3.2 -38.91 3 4 1 51 240.371 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S)-3-aminocyclohexyl]-(4-methyl-1,4-diazepan-1-yl)methanone [(1R,3S)-3-aminocyclohexyl]-(4-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) 0.24 5.14 -89.76 4 4 2 52 241.379 1 ↓
Hi High (pH 8-9.5) 0.24 3.09 -47.19 3 4 1 51 240.371 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S)-3-aminocyclohexyl]-(4-methyl-1,4-diazepan-1-yl)methanone [(1S,3S)-3-aminocyclohexyl]-(4-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) 0.24 4.86 -84.84 4 4 2 52 241.379 1 ↓
Hi High (pH 8-9.5) 0.24 2.89 -39.3 3 4 1 51 240.371 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1R,2S)-2-aminocyclohexanecarbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1R,2S)-2-aminocyclohexane…

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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) -0.17 4.38 -62.97 3 5 1 68 268.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1S,2S)-2-aminocyclohexanecarbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1S,2S)-2-aminocyclohexane…

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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) -0.17 4.38 -55.78 3 5 1 68 268.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1R,2R)-2-aminocyclohexanecarbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1R,2R)-2-aminocyclohexane…

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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) -0.17 4.59 -63.75 3 5 1 68 268.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1S,2R)-2-aminocyclohexanecarbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1S,2R)-2-aminocyclohexane…

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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) -0.17 4.28 -56.62 3 5 1 68 268.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1R,3S)-3-aminocyclohexane…

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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) -0.40 4.38 -67.48 3 5 1 68 268.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1S,3S)-3-aminocyclohexanecarbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1S,3S)-3-aminocyclohexane…

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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) -0.40 4.17 -50.33 3 5 1 68 268.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1R,3R)-3-aminocyclohexanecarbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1R,3R)-3-aminocyclohexane…

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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) -0.40 4.16 -50.63 3 5 1 68 268.381 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1S,3R)-3-aminocyclohexanecarbonyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1S,3R)-3-aminocyclohexane…

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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) -0.40 4.37 -60.05 3 5 1 68 268.381 1 ↓

Analogs

40481336
40481336
49090358
49090358
20217858
20217858
35738344
35738344

Draw Identity 99% 90% 80% 70%

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

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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) -0.06 1.67 -107.67 6 6 2 95 284.404 3 ↓
Hi High (pH 8-9.5) -0.06 0.14 -10.4 4 6 0 93 282.388 3 ↓
Mid Mid (pH 6-8) -0.06 1.81 -41.92 5 6 1 94 283.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -1.26 1.79 -98.69 6 6 2 95 284.404 3 ↓
Hi High (pH 8-9.5) -1.26 0.16 -48.61 5 6 1 94 283.396 3 ↓

Analogs

20217858
20217858
35738344
35738344

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclohexyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (1-aminocyclohexyl)-[4-(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) 1.20 4.69 -105.75 4 5 2 62 285.432 4 ↓
Mid Mid (pH 6-8) 1.20 4.45 -37.82 3 5 1 60 284.424 4 ↓

Analogs

37038901
37038901
15066099
15066099

Draw Identity 99% 90% 80% 70%

Popular Name: (4-aminocyclohexyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (4-aminocyclohexyl)-[4-(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) -0.01 4.84 -92.27 4 5 2 62 285.432 4 ↓

Parameters Provided:

ring.id = 149999
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 = 149999 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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