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Analogs

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Popular Name: 4-methyl-1-(m-tolylmethyl)-1,4-diazepan-5-one 4-methyl-1-(m-tolylmethyl)-1,4-d…

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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) 1.65 1.29 -48.69 1 3 1 25 233.335 2 ↓

Analogs

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Popular Name: 1-[(4-ethylphenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-5-one 1-[(4-ethylphenyl)methyl]-4-(2-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) 2.12 0.95 -49.69 1 4 1 34 291.415 6 ↓

Analogs

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Popular Name: 4-(2-methoxyethyl)-1-(m-tolylmethyl)-1,4-diazepan-5-one 4-(2-methoxyethyl)-1-(m-tolylmet…

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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) 1.63 1.27 -51.09 1 4 1 34 277.388 5 ↓

Analogs

11911340
11911340

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Popular Name: 4-methyl-1-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-5-one 4-methyl-1-[(2,4,5-trimethylphen…

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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) 2.43 1.7 -50.99 1 3 1 25 261.389 2 ↓

Analogs

15068397
15068397

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Popular Name: 4-methyl-1-(o-tolylmethyl)-1,4-diazepan-5-one 4-methyl-1-(o-tolylmethyl)-1,4-d…

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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) 1.63 1.56 -47.12 1 3 1 25 233.335 2 ↓

Analogs

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Popular Name: 1-[(4-bromophenyl)methyl]-1,4-diazepan-5-one 1-[(4-bromophenyl)methyl]-1,4-di…

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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) 1.79 3.53 -8.71 1 3 0 32 283.169 2 ↓
Mid Mid (pH 6-8) 1.79 5.55 -52.55 2 3 1 34 284.177 2 ↓

Analogs

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Popular Name: methyl 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) 1.15 3.55 -12.3 1 5 0 59 262.309 4 ↓
Mid Mid (pH 6-8) 1.15 5.57 -57.99 2 5 1 60 263.317 4 ↓

Analogs

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Popular Name: 2-[(5-oxo-1,4-diazepan-1-yl)methyl]benzonitrile 2-[(5-oxo-1,4-diazepan-1-yl)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) 0.69 3.35 -9.83 1 4 0 56 229.283 2 ↓
Lo Low (pH 4.5-6) 0.69 5.22 -45.02 2 4 1 57 230.291 2 ↓

Analogs

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Popular Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]-1,4-diazepan-5-one 1-[(4-bromo-2-fluoro-phenyl)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) 1.88 3.74 -8.49 1 3 0 32 301.159 2 ↓
Mid Mid (pH 6-8) 1.88 5.71 -47.55 2 3 1 34 302.167 2 ↓

Analogs

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Popular Name: 1-[(2-bromophenyl)methyl]-1,4-diazepan-5-one 1-[(2-bromophenyl)methyl]-1,4-di…

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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) 1.74 3.71 -7.61 1 3 0 32 283.169 2 ↓
Mid Mid (pH 6-8) 1.74 5.56 -41 2 3 1 34 284.177 2 ↓

Analogs

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Popular Name: 3-[(5-oxo-1,4-diazepan-1-yl)methyl]benzonitrile 3-[(5-oxo-1,4-diazepan-1-yl)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) 0.71 3.29 -11.5 1 4 0 56 229.283 2 ↓
Mid Mid (pH 6-8) 0.71 5.31 -57.19 2 4 1 57 230.291 2 ↓

Analogs

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Popular Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-1,4-diazepan-5-one 1-[(5-bromo-2-methoxy-phenyl)met…

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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) 1.77 2.95 -8.78 1 4 0 42 313.195 3 ↓
Mid Mid (pH 6-8) 1.77 5.09 -43.79 2 4 1 43 314.203 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[(5-oxo-1,4-diazepan-1-yl)methyl]benzonitrile 3-fluoro-4-[(5-oxo-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) 0.83 3.38 -11.46 1 4 0 56 247.273 2 ↓
Lo Low (pH 4.5-6) 0.83 5.43 -55.16 2 4 1 57 248.281 2 ↓

Analogs

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Popular Name: 4-fluoro-3-[(5-oxo-1,4-diazepan-1-yl)methyl]benzonitrile 4-fluoro-3-[(5-oxo-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) 0.83 3.37 -11.4 1 4 0 56 247.273 2 ↓
Lo Low (pH 4.5-6) 0.83 5.44 -53.44 2 4 1 57 248.281 2 ↓

Analogs

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Popular Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-1,4-diazepan-5-one 1-[(2-bromo-4-fluoro-phenyl)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) 1.88 3.76 -8.37 1 3 0 32 301.159 2 ↓
Mid Mid (pH 6-8) 1.88 5.63 -46.16 2 3 1 34 302.167 2 ↓

Analogs

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Popular Name: 4-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one 4-(2-hydroxyethyl)-1-[(4-hydroxy…

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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) 0.11 2.06 -48.51 3 5 1 65 265.333 4 ↓
Hi High (pH 8-9.5) 0.11 0.04 -9.83 2 5 0 64 264.325 4 ↓

Analogs

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Popular Name: (3S)-3-(4-benzyl-7-oxo-1,4-diazepan-1-yl)-5-methyl-hexanenitrile (3S)-3-(4-benzyl-7-oxo-1,4-diaze…

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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) 2.32 11.6 -43.82 1 4 1 49 314.453 6 ↓
Hi High (pH 8-9.5) 2.32 9.51 -8.39 0 4 0 47 313.445 6 ↓

Analogs

25750922
25750922

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Popular Name: 1-[(3-chlorophenyl)methyl]-4-ethyl-1,4-diazepan-5-one 1-[(3-chlorophenyl)methyl]-4-eth…

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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) 2.25 6.58 -9.64 0 3 0 24 266.772 3 ↓

Analogs

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Popular Name: (2R)-1-benzyl-2-methyl-1,4-diazepan-5-one (2R)-1-benzyl-2-methyl-1,4-diaze…

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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) 1.31 5.33 -43.38 2 3 1 34 219.308 2 ↓
Mid Mid (pH 6-8) 1.31 3.4 -7.83 1 3 0 32 218.3 2 ↓

Analogs

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Popular Name: (2S)-1-benzyl-2-methyl-1,4-diazepan-5-one (2S)-1-benzyl-2-methyl-1,4-diaze…

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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) 1.31 5.33 -43.37 2 3 1 34 219.308 2 ↓
Mid Mid (pH 6-8) 1.31 3.39 -7.84 1 3 0 32 218.3 2 ↓

Analogs

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Popular Name: 4-ethyl-1-[(3,4,5-trifluorophenyl)methyl]-1,4-diazepan-5-one 4-ethyl-1-[(3,4,5-trifluoropheny…

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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) 1.95 6.24 -12.63 0 3 0 24 286.297 3 ↓

Analogs

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Popular Name: (2R)-2-methyl-1-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-5-one (2R)-2-methyl-1-[(4-methylsulfon…

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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) 0.18 0.94 -16.56 1 5 0 66 296.392 3 ↓
Lo Low (pH 4.5-6) 0.18 2.88 -58.26 2 5 1 68 297.4 3 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-5-one (2S)-2-methyl-1-[(4-methylsulfon…

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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) 0.18 0.94 -16.54 1 5 0 66 296.392 3 ↓
Lo Low (pH 4.5-6) 0.18 2.88 -58.24 2 5 1 68 297.4 3 ↓

Analogs

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Popular Name: 1-[(2,3-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-5-one 1-[(2,3-difluorophenyl)methyl]-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) 1.83 6.02 -13.97 0 3 0 24 268.307 3 ↓

Analogs

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Popular Name: 1-[(2,6-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-5-one 1-[(2,6-difluorophenyl)methyl]-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) 1.83 6.04 -9.8 0 3 0 24 268.307 3 ↓

Analogs

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Popular Name: 4-(2-methoxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one 4-(2-methoxyethyl)-1-[[2-(triflu…

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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) 2.06 7.4 -7.75 0 4 0 33 330.35 6 ↓

Analogs

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Popular Name: (2R)-1-[(2-fluoro-4,5-dimethoxy-phenyl)methyl]-2-methyl-1,4-diazepan-5-one (2R)-1-[(2-fluoro-4,5-dimethoxy-…

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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) 1.05 2.61 -10.58 1 5 0 51 296.342 4 ↓
Mid Mid (pH 6-8) 1.05 4.65 -45.77 2 5 1 52 297.35 4 ↓

Analogs

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Popular Name: (2S)-1-[(2-fluoro-4,5-dimethoxy-phenyl)methyl]-2-methyl-1,4-diazepan-5-one (2S)-1-[(2-fluoro-4,5-dimethoxy-…

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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) 1.05 2.52 -12.51 1 5 0 51 296.342 4 ↓
Mid Mid (pH 6-8) 1.05 4.46 -48.69 2 5 1 52 297.35 4 ↓

Parameters Provided:

ring.id = 46197
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 46197 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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