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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

19910086
19910086
34989762
34989762

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Popular Name: 2-(1,4-diazepan-1-yl)-1-phenyl-ethanone 2-(1,4-diazepan-1-yl)-1-phenyl-e…

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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 4.72 -42.52 2 3 1 37 219.308 3 ↓

Analogs

34989754
34989754

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Popular Name: 1-(4-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone 1-(4-bromophenyl)-2-(1,4-diazepa…

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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) 1.87 5.34 -43.36 2 3 1 37 298.204 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-butan-1-one (2S)-2-(4-methyl-1,4-diazepan-1-…

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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) 2.52 8.07 -31.95 1 3 1 25 261.389 4 ↓
Hi High (pH 8-9.5) 2.52 7.71 -32.98 1 3 1 25 261.389 4 ↓
Hi High (pH 8-9.5) 2.52 5.76 -6.1 0 3 0 24 260.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-methyl-1,4-diazepan-1-yl)-1-phenyl-butan-1-one (2R)-2-(4-methyl-1,4-diazepan-1-…

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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) 2.52 8.61 -36.29 1 3 1 25 261.389 4 ↓
Hi High (pH 8-9.5) 2.52 8.08 -33.14 1 3 1 25 261.389 4 ↓
Hi High (pH 8-9.5) 2.52 5.73 -6.26 0 3 0 24 260.381 4 ↓

Analogs

45700199
45700199

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Popular Name: 1-(2-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(2-ethoxyphenyl)-2-(4-methyl-1…

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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 8.36 -36.54 1 4 1 34 277.388 5 ↓
Hi High (pH 8-9.5) 2.04 5.97 -10.93 0 4 0 33 276.38 5 ↓

Analogs

45700202
45700202
45700206
45700206

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Popular Name: (2S)-1-(2,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one (2S)-1-(2,4-dichlorophenyl)-2-(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) 3.27 8.17 -36.49 1 3 1 25 316.252 3 ↓
Hi High (pH 8-9.5) 3.27 5.77 -7.19 0 3 0 24 315.244 3 ↓
Hi High (pH 8-9.5) 3.27 7.78 -38.5 1 3 1 25 316.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one (2R)-1-(2,4-dichlorophenyl)-2-(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) 3.27 8.19 -38.44 1 3 1 25 316.252 3 ↓
Hi High (pH 8-9.5) 3.27 6.04 -7.4 0 3 0 24 315.244 3 ↓
Hi High (pH 8-9.5) 3.27 7.95 -38.56 1 3 1 25 316.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2,4-difluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one (2S)-1-(2,4-difluorophenyl)-2-(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) 2.24 7.29 -38.64 1 3 1 25 283.342 3 ↓
Hi High (pH 8-9.5) 2.24 6.9 -40.69 1 3 1 25 283.342 3 ↓
Hi High (pH 8-9.5) 2.24 4.9 -9.59 0 3 0 24 282.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2,4-difluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one (2R)-1-(2,4-difluorophenyl)-2-(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) 2.24 7.32 -40.86 1 3 1 25 283.342 3 ↓
Hi High (pH 8-9.5) 2.24 7.08 -40.73 1 3 1 25 283.342 3 ↓
Hi High (pH 8-9.5) 2.24 5.16 -9.86 0 3 0 24 282.334 3 ↓

Analogs

45700269
45700269

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Popular Name: 1-(2-methoxy-4-methyl-phenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(2-methoxy-4-methyl-phenyl)-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) 2.09 8.11 -36.78 1 4 1 34 277.388 4 ↓
Hi High (pH 8-9.5) 2.09 5.71 -10.94 0 4 0 33 276.38 4 ↓

Analogs

42775856
42775856
45700298
45700298

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Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)-1-(o-tolyl)ethanone 2-(4-methyl-1,4-diazepan-1-yl)-1…

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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) 2.05 7.65 -34.46 1 3 1 25 247.362 3 ↓
Hi High (pH 8-9.5) 2.05 5.27 -7.02 0 3 0 24 246.354 3 ↓

Analogs

45699853
45699853

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Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)-1-(m-tolyl)ethanone 2-(4-methyl-1,4-diazepan-1-yl)-1…

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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 7.63 -35.2 1 3 1 25 247.362 3 ↓
Hi High (pH 8-9.5) 2.08 5.25 -8.24 0 3 0 24 246.354 3 ↓

Analogs

42775742
42775742
45699859
45699859

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Popular Name: 1-(5-fluoro-2-hydroxy-phenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(5-fluoro-2-hydroxy-phenyl)-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) 1.73 5.58 -36.29 2 4 1 45 267.324 3 ↓
Hi High (pH 8-9.5) 1.73 6.58 -58.93 1 4 0 48 266.316 3 ↓

Parameters Provided:

ring.id = 38681
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 = 38681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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