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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    25081754
    25081754
    37037973
    37037973
    37038012
    37038012
    37038393
    37038393
    37038752
    37038752

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)-methanone (4-methoxyphenyl)-(4-methyl-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) 1.12 1.49 -42.3 1 4 1 34 249.334 2 ↓

    Analogs

    37037734
    37037734
    37037960
    37037960
    37038329
    37038329
    673421
    673421

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 2.77 2.61 -40 1 3 1 24 275.416 2 ↓

    Analogs

    5944189
    5944189

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 1.72 8.03 -41.57 1 3 1 25 253.753 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-amino-2-chloro-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (5-amino-2-chloro-phenyl)-[4-(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) 0.73 5.75 -36.78 3 5 1 60 312.821 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-amino-4-chloro-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (2-amino-4-chloro-phenyl)-[4-(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) 1.14 5.96 -37.19 3 5 1 60 312.821 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-amino-2-chloro-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (4-amino-2-chloro-phenyl)-[4-(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) 0.73 5.76 -36.64 3 5 1 60 312.821 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-amino-5-chloro-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (2-amino-5-chloro-phenyl)-[4-(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) 1.14 5.95 -36.64 3 5 1 60 312.821 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-amino-2-methyl-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (3-amino-2-methyl-phenyl)-[4-(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) 0.89 5.87 -36.29 3 5 1 60 292.403 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-amino-3-methyl-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (2-amino-3-methyl-phenyl)-[4-(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) 0.89 6.13 -36.01 3 5 1 60 292.403 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-amino-6-methyl-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (2-amino-6-methyl-phenyl)-[4-(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) 0.89 5.75 -37.95 3 5 1 60 292.403 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-amino-4-fluoro-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (3-amino-4-fluoro-phenyl)-[4-(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) 0.63 5.27 -38.46 3 5 1 60 296.366 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-amino-2-fluoro-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (5-amino-2-fluoro-phenyl)-[4-(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) 0.22 5.31 -38.5 3 5 1 60 296.366 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-amino-4-bromo-phenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (3-amino-4-bromo-phenyl)-[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) 1.27 5.89 -37.73 3 5 1 60 357.272 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,4-diaminophenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (2,4-diaminophenyl)-[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) -0.46 3.31 -36.09 5 6 1 86 293.391 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3,5-diaminophenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (3,5-diaminophenyl)-[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) -0.87 3.04 -37.49 5 6 1 86 293.391 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(5-amino-2-chloro-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(5-amino-2-chloro-benzoyl)-…

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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) 0.95 5.93 -13.31 2 5 0 67 309.797 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-amino-4-chloro-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(2-amino-4-chloro-benzoyl)-…

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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) 1.36 6.09 -13.22 2 5 0 67 309.797 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(4-amino-2-chloro-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(4-amino-2-chloro-benzoyl)-…

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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) 0.95 5.92 -17.68 2 5 0 67 309.797 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-amino-5-chloro-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(2-amino-5-chloro-benzoyl)-…

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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) 1.36 6.08 -12.57 2 5 0 67 309.797 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(3-amino-2-methyl-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(3-amino-2-methyl-benzoyl)-…

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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) 1.10 6.17 -14.84 2 5 0 67 289.379 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-amino-3-methyl-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(2-amino-3-methyl-benzoyl)-…

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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) 1.10 6.34 -13.62 2 5 0 67 289.379 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-amino-6-methyl-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(2-amino-6-methyl-benzoyl)-…

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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) 1.10 6.21 -13.53 2 5 0 67 289.379 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(3-amino-4-fluoro-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(3-amino-4-fluoro-benzoyl)-…

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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) 0.84 5.3 -16.34 2 5 0 67 293.342 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(5-amino-2-fluoro-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(5-amino-2-fluoro-benzoyl)-…

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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) 0.43 5.5 -19.22 2 5 0 67 293.342 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(3-amino-4-bromo-benzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(3-amino-4-bromo-benzoyl)-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) 1.49 5.91 -15.99 2 5 0 67 354.248 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2,4-diaminobenzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(2,4-diaminobenzoyl)-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) -0.25 3.44 -14.54 4 6 0 93 290.367 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(3,5-diaminobenzoyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(3,5-diaminobenzoyl)-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) -0.65 3.07 -17.53 4 6 0 93 290.367 2 ↓

    Analogs

    55708486
    55708486

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-diazepan-1-yl-(2-methoxy-5-methyl-phenyl)methanone 1,4-diazepan-1-yl-(2-methoxy-5-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) 1.45 5.65 -45.25 2 4 1 46 249.334 2 ↓
    Hi High (pH 8-9.5) 1.45 4.36 -11.84 1 4 0 42 248.326 2 ↓

    Analogs

    55708486
    55708486

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2-methoxy-5-methyl-phenyl)methanone [4-(2-aminoethyl)-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) 0.85 4.37 -52.53 3 5 1 60 292.403 4 ↓
    Lo Low (pH 4.5-6) 0.85 5.87 -123.16 4 5 2 62 293.411 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-diazepan-1-yl-[4-(trifluoromethyl)phenyl]methanone 1,4-diazepan-1-yl-[4-(trifluorom…

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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) 1.37 6.14 -55.98 2 3 1 37 273.278 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-diazepan-1-yl-(2-hydroxy-4-methyl-phenyl)methanone 1,4-diazepan-1-yl-(2-hydroxy-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) 1.38 3.36 -48.33 3 4 1 57 235.307 1 ↓
    Hi High (pH 8-9.5) 1.38 4.2 -64.84 2 4 0 60 234.299 1 ↓

    Analogs

    37846061
    37846061

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-2-fluoro-phenyl)-(1,4-diazepan-1-yl)methanone (5-bromo-2-fluoro-phenyl)-(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) 1.37 5.82 -53.86 2 3 1 37 302.167 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-diazepan-1-yl-(2-hydroxy-3-methoxy-phenyl)methanone 1,4-diazepan-1-yl-(2-hydroxy-3-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) 0.56 3.04 -51.99 3 5 1 66 251.306 2 ↓
    Hi High (pH 8-9.5) 0.56 3.79 -74.98 2 5 0 69 250.298 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-diazepan-1-yl-[3-(difluoromethoxy)phenyl]methanone 1,4-diazepan-1-yl-[3-(difluorome…

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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 4.82 -49.1 2 4 1 46 271.287 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-diazepan-1-yl-(2-methyl-6-nitro-phenyl)methanone 1,4-diazepan-1-yl-(2-methyl-6-ni…

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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) 0.78 7.03 -56.24 2 6 1 83 264.305 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-(2-aminoethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone [3-(2-aminoethyl)phenyl]-(4-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) 0.03 6.34 -91.82 4 4 2 52 263.385 3 ↓
    Hi High (pH 8-9.5) 0.03 4.33 -49.67 3 4 1 51 262.377 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[3-(2-aminoethyl)benzoyl]-1,4-diazepan-1-yl]ethanone 1-[4-[3-(2-aminoethyl)benzoyl]-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) -0.61 5.31 -58.78 3 5 1 68 290.387 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-hydrazino-4-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (3-hydrazino-4-nitro-phenyl)-(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) 0.20 6 -46.77 4 8 1 109 294.335 3 ↓
    Hi High (pH 8-9.5) 0.20 3.99 -9.82 3 8 0 107 293.327 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-fluoro-4-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (3-fluoro-4-nitro-phenyl)-(4-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) 1.12 8.26 -50.07 1 6 1 71 282.295 2 ↓
    Hi High (pH 8-9.5) 1.12 6.26 -11.97 0 6 0 69 281.287 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 1.75 7.67 -12.55 0 7 0 68 364.442 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 2.90 9.61 -9.85 0 5 0 50 332.444 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-chlorobenzoyl)-N-[3-oxo-3-(propylamino)propyl]-1,4-diazepane-1-carboxamide 4-(3-chlorobenzoyl)-N-[3-oxo-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) 2.18 6.7 -22.96 2 7 0 82 394.903 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 2.48 8.2 -12.15 0 8 0 78 394.468 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 3.24 6.54 -12.2 1 6 0 70 354.834 3 ↓
    Hi High (pH 8-9.5) 3.24 7.32 -46.44 0 6 -1 73 353.826 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 3.38 6.63 -12.08 1 6 0 70 399.285 3 ↓
    Hi High (pH 8-9.5) 3.38 7.42 -46.37 0 6 -1 73 398.277 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-methyl-2-[4-(3-propoxybenzoyl)-1,4-diazepan-1-yl]acetamide N-methyl-2-[4-(3-propoxybenzoyl)…

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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 6.79 -40.4 2 6 1 63 334.44 6 ↓
    Hi High (pH 8-9.5) 1.58 5.18 -12.03 1 6 0 62 333.432 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(4-isopropylbenzoyl)-1,4-diazepan-1-yl]-N-methyl-acetamide 2-[4-(4-isopropylbenzoyl)-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) 2.19 7.68 -40.48 2 5 1 54 318.441 4 ↓
    Hi High (pH 8-9.5) 2.19 6.06 -11.93 1 5 0 53 317.433 4 ↓

    Analogs

    26356410
    26356410

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[4-[ethyl(isopropyl)amino]benzoyl]-1,4-diazepan-1-yl]ethanone 1-[4-[4-[ethyl(isopropyl)amino]b…

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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 9.09 -16.87 0 5 0 44 331.46 4 ↓
    Mid Mid (pH 6-8) 1.58 9.39 -30.9 1 5 0 45 332.468 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-hydroxy-5-isopropyl-benzoyl)-1,4-diazepan-1-yl]ethanone 1-[4-(2-hydroxy-5-isopropyl-benz…

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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) 2.40 6.05 -15.08 1 5 0 61 304.39 2 ↓
    Hi High (pH 8-9.5) 2.40 6.91 -58.69 0 5 -1 64 303.382 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-tert-butyl-1,4-diazepan-1-yl)-(3-chloro-4-hydroxy-phenyl)methanone (4-tert-butyl-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) 2.64 6.58 -39.39 2 4 1 45 311.833 2 ↓
    Hi High (pH 8-9.5) 2.64 7.36 -58.04 1 4 0 48 310.825 2 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    Permalink

    //zinc12.docking.org/results/combination?ring.id=3748&filter.purchasability=annotated

    Embed Link to Results

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