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Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-ethyl-N-(m-tolyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-ethyl-N-…

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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) 1.08 6.51 -54.99 2 5 1 57 290.387 3 ↓
Hi High (pH 8-9.5) 1.08 5.89 -5.72 1 5 0 53 289.379 3 ↓

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(2-cyano-3-fluoro-phenyl)-2-(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) -0.14 4.33 -51.59 3 6 1 90 291.306 2 ↓
Hi High (pH 8-9.5) -0.14 3.04 -9.22 2 6 0 85 290.298 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(4-dimethylaminophenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(4-dimet…

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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) 0.14 4.26 -43.5 3 6 1 69 291.375 3 ↓
Hi High (pH 8-9.5) 0.14 2.97 -6.74 2 6 0 65 290.367 3 ↓

Analogs

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Popular Name: N-(2-chloro-4-methoxy-phenyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]acetamide N-(2-chloro-4-methoxy-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) 2.22 5.24 -6.47 1 6 0 62 393.793 5 ↓
Lo Low (pH 4.5-6) 2.22 6.57 -49.06 2 6 1 63 394.801 5 ↓

Analogs

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Popular Name: 2-(4-tert-butyl-1,4-diazepan-1-yl)-N-(4-methoxy-2-methyl-phenyl)-2-oxo-acetamide 2-(4-tert-butyl-1,4-diazepan-1-y…

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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 7.57 -35.38 2 6 1 63 348.467 4 ↓
Hi High (pH 8-9.5) 2.25 5.87 -6.04 1 6 0 62 347.459 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-2-oxo-acetamide N-(4-chlorophenyl)-2-[4-(2,2-dim…

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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) 2.33 7.21 -10.6 1 6 0 70 365.861 3 ↓

Analogs

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Popular Name: 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-2-oxo-N-phenyl-acetamide 2-[4-(2,2-dimethylpropanoyl)-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) 1.65 6.69 -10.84 1 6 0 70 331.416 3 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-2-oxo-acetamide N-(4-methoxyphenyl)-2-[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) 1.13 5.87 -11.78 1 7 0 79 347.415 4 ↓

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) 0.71 5.46 -9.85 1 7 0 79 341.314 3 ↓
Hi High (pH 8-9.5) 0.90 5.85 -43.46 0 7 -1 85 340.306 3 ↓

Analogs

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Popular Name: 2-(4-isopropyl-1,4-diazepan-1-yl)-2-oxo-N-(2,3,4-trifluorophenyl)acetamide 2-(4-isopropyl-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) 1.65 7.23 -41.61 2 5 1 54 344.357 3 ↓
Hi High (pH 8-9.5) 1.65 5.54 -5.4 1 5 0 53 343.349 3 ↓
Hi High (pH 8-9.5) 1.84 7.62 -47.05 1 5 0 60 343.349 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-(4-isopropyl-1,4-diazepan-1-yl)-2-oxo-acetamide N-(4-chloro-2-fluoro-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) 2.07 7.62 -37.65 2 5 1 54 342.822 3 ↓
Hi High (pH 8-9.5) 2.26 8.04 -49.45 1 5 0 60 341.814 3 ↓
Hi High (pH 8-9.5) 2.07 5.93 -3.97 1 5 0 53 341.814 3 ↓

Analogs

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Popular Name: N-(2-fluoro-5-methyl-phenyl)-2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-2-oxo-acetamide N-(2-fluoro-5-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) 1.61 7.4 -10.87 1 6 0 70 349.406 3 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-2-oxo-acetamide N-(4-fluoro-2-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) 1.61 7.36 -10.68 1 6 0 70 349.406 3 ↓

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) 1.02 5.76 -9.91 1 7 0 79 337.351 3 ↓

Analogs

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Popular Name: 2-(4-tert-butyl-1,4-diazepan-1-yl)-N-(3-cyano-4-fluoro-phenyl)-2-oxo-acetamide 2-(4-tert-butyl-1,4-diazepan-1-y…

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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 7.81 -41.47 2 6 1 78 347.414 3 ↓
Hi High (pH 8-9.5) 1.66 6.13 -7.35 1 6 0 76 346.406 3 ↓
Hi High (pH 8-9.5) 1.85 8.24 -47.11 1 6 0 84 346.406 3 ↓

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) 1.30 6.59 -8.35 1 7 0 79 333.388 3 ↓

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) 1.97 6.97 -8.19 1 7 0 79 347.415 4 ↓

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) 0.90 5.72 -8.22 1 7 0 79 319.361 3 ↓

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) 0.91 5.27 -9.08 1 8 0 88 349.387 5 ↓

Analogs

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Popular Name: 2-(4-isopropyl-1,4-diazepan-1-yl)-N-(2-methoxy-5-methyl-phenyl)-2-oxo-acetamide 2-(4-isopropyl-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) 1.74 7.25 -36.16 2 6 1 63 334.44 4 ↓
Hi High (pH 8-9.5) 1.74 5.32 -6.47 1 6 0 62 333.432 4 ↓

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) 1.11 5.93 -8.47 1 7 0 79 339.779 3 ↓
Hi High (pH 8-9.5) 1.29 6.2 -44.75 0 7 -1 85 338.771 3 ↓

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) 1.39 6.49 -8.09 1 7 0 79 333.388 4 ↓

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) 0.91 5.14 -9.34 1 8 0 88 349.387 4 ↓

Analogs

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Popular Name: 2-(4-isopropyl-1,4-diazepan-1-yl)-N-(4-methoxy-2-methyl-phenyl)-2-oxo-acetamide 2-(4-isopropyl-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) 1.74 7.34 -36.03 2 6 1 63 334.44 4 ↓
Hi High (pH 8-9.5) 1.74 5.42 -6.02 1 6 0 62 333.432 4 ↓

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) 0.22 6.49 -11.54 1 7 0 79 329.356 3 ↓

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) 0.35 5.46 -15.31 1 8 0 96 347.371 4 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propylphenyl)acetamide 2-(1,4-diazepan-1-yl)-2-oxo-N-(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) 1.34 6.06 -42.84 3 5 1 66 290.387 4 ↓
Hi High (pH 8-9.5) 1.34 4.78 -5.53 2 5 0 61 289.379 4 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(3-fluoro-4-methoxy-phenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(3-fluor…

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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 3.22 -45.76 3 6 1 75 296.322 3 ↓
Hi High (pH 8-9.5) 0.18 1.92 -9.52 2 6 0 71 295.314 3 ↓

Analogs

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Popular Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(4-bromo-2,6-dimethyl-phenyl)-…

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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 6.04 -44.37 3 5 1 66 355.256 2 ↓
Hi High (pH 8-9.5) 0.66 4.73 -4.89 2 5 0 61 354.248 2 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(5-chloro-2-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) 1.09 5.26 -42.55 3 5 1 66 296.778 2 ↓
Hi High (pH 8-9.5) 1.09 3.98 -6.12 2 5 0 61 295.77 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide 2-(1,4-diazepan-1-yl)-2-oxo-N-(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) 0.30 6.25 -43.11 3 5 1 66 290.387 2 ↓
Hi High (pH 8-9.5) 0.30 4.94 -5.9 2 5 0 61 289.379 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(2,5-dic…

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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) 1.32 4.98 -43 3 5 1 66 317.196 2 ↓
Hi High (pH 8-9.5) 1.32 3.69 -5.04 2 5 0 61 316.188 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(2-ethyl-6-methyl-phenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(2-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) 0.36 6.17 -43.31 3 5 1 66 290.387 3 ↓
Hi High (pH 8-9.5) 0.36 4.88 -5.6 2 5 0 61 289.379 3 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(3-methylsulfanylphenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(3-methy…

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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) 0.44 4.86 -43.01 3 5 1 66 294.4 3 ↓
Hi High (pH 8-9.5) 0.44 3.58 -7.88 2 5 0 61 293.392 3 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(3-chloro-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) 1.09 4.95 -42.88 3 5 1 66 296.778 2 ↓
Hi High (pH 8-9.5) 1.09 3.66 -6.58 2 5 0 61 295.77 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(2-methoxyphenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(2-metho…

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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) 0.04 3.27 -44.26 3 6 1 75 278.332 3 ↓
Hi High (pH 8-9.5) 0.04 1.96 -7.45 2 6 0 71 277.324 3 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(3-chloro-4-methoxy-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) 0.70 3.69 -44.63 3 6 1 75 312.777 3 ↓
Hi High (pH 8-9.5) 0.70 2.41 -8.37 2 6 0 71 311.769 3 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(2-ethoxyphenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(2-ethox…

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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) 0.42 4.2 -44.07 3 6 1 75 292.359 4 ↓
Hi High (pH 8-9.5) 0.42 2.9 -7.2 2 6 0 71 291.351 4 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(3-chloro-2-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) 1.06 5.13 -44.39 3 5 1 66 296.778 2 ↓
Hi High (pH 8-9.5) 1.06 3.85 -5.05 2 5 0 61 295.77 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(2,4-dic…

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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) 1.32 4.99 -44.58 3 5 1 66 317.196 2 ↓
Hi High (pH 8-9.5) 1.32 3.7 -4.24 2 5 0 61 316.188 2 ↓

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(4-bromo-2-methyl-phenyl)-2-(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) 1.22 5.36 -43.05 3 5 1 66 341.229 2 ↓
Hi High (pH 8-9.5) 1.22 4.07 -5.14 2 5 0 61 340.221 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(4-methylsulfanylphenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(4-methy…

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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 4.86 -44.83 3 5 1 66 294.4 3 ↓
Hi High (pH 8-9.5) 0.47 3.58 -6.14 2 5 0 61 293.392 3 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-2-oxo-N-(2,3,4-trifluorophenyl)acetamide 2-(1,4-diazepan-1-yl)-2-oxo-N-(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) 0.38 4.08 -49.17 3 5 1 66 302.276 2 ↓
Hi High (pH 8-9.5) 0.38 2.8 -6.04 2 5 0 61 301.268 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(2,5-difluorophenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(2,5-dif…

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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) 0.29 4.03 -43.56 3 5 1 66 284.286 2 ↓
Hi High (pH 8-9.5) 0.29 2.74 -5.86 2 5 0 61 283.278 2 ↓

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(4-bromo-2-fluoro-phenyl)-2-(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) 0.94 4.59 -45.08 3 5 1 66 345.192 2 ↓
Hi High (pH 8-9.5) 0.94 3.29 -4.54 2 5 0 61 344.184 2 ↓

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide N-(4-bromo-3-methyl-phenyl)-2-(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) 1.22 5.04 -44.27 3 5 1 66 341.229 2 ↓
Hi High (pH 8-9.5) 1.22 3.74 -5.4 2 5 0 61 340.221 2 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(3,5-dichlorophenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(3,5-dic…

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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) 1.32 4.87 -43.31 3 5 1 66 317.196 2 ↓
Hi High (pH 8-9.5) 1.32 3.6 -4.65 2 5 0 61 316.188 2 ↓

Analogs

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Popular Name: 4-[[2-(1,4-diazepan-1-yl)-2-oxo-acetyl]amino]benzamide 4-[[2-(1,4-diazepan-1-yl)-2-oxo-…

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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 0.67 -49.44 5 7 1 109 291.331 3 ↓
Hi High (pH 8-9.5) -1.15 -0.63 -12.51 4 7 0 105 290.323 3 ↓

Analogs

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Popular Name: 2-(1,4-diazepan-1-yl)-N-(4-isopropylphenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(4-isopr…

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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) 1.55 5.77 -42.8 3 5 1 66 290.387 3 ↓
Hi High (pH 8-9.5) 1.55 4.48 -5.5 2 5 0 61 289.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,4-diazepan-1-yl)-N-(3,4-dichlorophenyl)-2-oxo-acetamide 2-(1,4-diazepan-1-yl)-N-(3,4-dic…

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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) 1.32 4.82 -44.15 3 5 1 66 317.196 2 ↓
Hi High (pH 8-9.5) 1.32 3.54 -6.45 2 5 0 61 316.188 2 ↓

Parameters Provided:

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