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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

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(2,4-dichloro-5-fluoro-phenyl)methanone azepan-1-yl-(2,4-dichloro-5-fluo…

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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) 3.69 8.54 -6.14 0 2 0 20 290.165 1 ↓

    Analogs

    36721173
    36721173

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(azepane-1-carbonyl)benzenecarbothioamide 4-(azepane-1-carbonyl)benzenecar…

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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 6.52 -18.1 2 3 0 46 262.378 2 ↓

    Analogs

    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) 1.79 -0.53 -62.15 1 6 -1 90 331.392 6 ↓

    Analogs

    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) 1.28 -0.65 -53.5 1 6 -1 90 317.365 5 ↓

    Analogs

    55741637
    55741637
    6396635
    6396635
    6396636
    6396636

    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) 3.94 0.28 -14.88 1 4 0 49 316.445 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-(2-aminoethyl)phenyl]-(azepan-1-yl)methanone [3-(2-aminoethyl)phenyl]-(azepan…

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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) 1.28 6.25 -49.09 3 3 1 48 247.362 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-amino-4-nitro-phenyl)-(azepan-1-yl)methanone (3-amino-4-nitro-phenyl)-(azepan…

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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) 1.69 6.24 -9.15 2 6 0 92 263.297 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-[3-(methylamino)-4-nitro-phenyl]methanone azepan-1-yl-[3-(methylamino)-4-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) 2.06 7.14 -9.25 1 6 0 78 277.324 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-[3-(ethylamino)-4-nitro-phenyl]methanone azepan-1-yl-[3-(ethylamino)-4-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) 2.44 7.96 -8.93 1 6 0 78 291.351 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(3-hydrazino-4-nitro-phenyl)methanone azepan-1-yl-(3-hydrazino-4-nitro…

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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 5.94 -9.92 3 7 0 104 278.312 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(3-fluoro-4-nitro-phenyl)methanone azepan-1-yl-(3-fluoro-4-nitro-ph…

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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) 2.37 8.18 -8.92 0 5 0 66 266.272 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(azepane-1-carbonyl)-N-(2-dimethylaminoethyl)-4-methoxy-benzenesulfonamide 3-(azepane-1-carbonyl)-N-(2-dime…

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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 5.36 -49.61 2 7 1 80 384.522 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[4-(azepane-1-carbonyl)phenyl]-N-(5-methoxypentyl)oxamide N'-[4-(azepane-1-carbonyl)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) 1.63 6.21 -11.79 2 7 0 88 389.496 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(azepane-1-carbonyl)phenyl]-2,2-dichloro-acetamide N-[2-(azepane-1-carbonyl)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) 2.63 7.76 -9.34 1 4 0 49 329.227 3 ↓
    Hi High (pH 8-9.5) 2.82 6.38 -46.47 0 4 -1 56 328.219 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(azepane-1-carbonyl)-3-methyl-benzamide 4-(azepane-1-carbonyl)-3-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) 1.51 4.84 -13.49 2 4 0 63 260.337 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-chloro-2-fluoro-phenyl)-[(4R)-4-propylazepan-1-yl]methanone (5-chloro-2-fluoro-phenyl)-[(4R)…

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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) 4.34 10 -8.99 0 2 0 20 297.801 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(methoxymethyl)phenyl]-[(4R)-4-propylazepan-1-yl]methanone [4-(methoxymethyl)phenyl]-[(4R)-…

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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) 3.52 9.15 -9.06 0 3 0 30 289.419 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-hydroxy-5-methyl-phenyl)-[(4R)-4-propylazepan-1-yl]methanone (2-hydroxy-5-methyl-phenyl)-[(4R…

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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) 4.48 7.59 -10.53 1 3 0 41 275.392 3 ↓
    Hi High (pH 8-9.5) 4.48 8.41 -59.17 0 3 -1 43 274.384 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(4S)-4-propylazepane-1-carbonyl]benzonitrile 3-[(4S)-4-propylazepane-1-carbon…

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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) 3.30 9.78 -8.67 0 3 0 44 270.376 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-hydroxy-4-methoxy-phenyl)-[(4R)-4-propylazepan-1-yl]methanone (2-hydroxy-4-methoxy-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) 4.09 6.25 -11.58 1 4 0 50 291.391 4 ↓
    Hi High (pH 8-9.5) 4.09 7.07 -57.54 0 4 -1 53 290.383 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-hydroxy-4-methyl-phenyl)-[(4R)-4-propylazepan-1-yl]methanone (2-hydroxy-4-methyl-phenyl)-[(4R…

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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) 4.48 7.6 -10.59 1 3 0 41 275.392 3 ↓
    Hi High (pH 8-9.5) 4.48 8.41 -59.89 0 3 -1 43 274.384 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-2-hydroxy-phenyl)-[(4R)-4-propylazepan-1-yl]methanone (5-bromo-2-hydroxy-phenyl)-[(4R)…

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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) 4.84 7.54 -8.73 1 3 0 41 340.261 3 ↓
    Hi High (pH 8-9.5) 4.84 8.36 -51.22 0 3 -1 43 339.253 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-bromophenyl)-[(4R)-4-propylazepan-1-yl]methanone (3-bromophenyl)-[(4R)-4-propylaz…

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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) 4.35 10.03 -8.71 0 2 0 20 324.262 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: phenyl-[(4R)-4-propylazepan-1-yl]methanone phenyl-[(4R)-4-propylazepan-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) 3.57 9.41 -8.2 0 2 0 20 245.366 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-bromophenyl)-[(4R)-4-propylazepan-1-yl]methanone (2-bromophenyl)-[(4R)-4-propylaz…

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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) 4.33 10 -9.31 0 2 0 20 324.262 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-bromophenyl)-[(4R)-4-propylazepan-1-yl]methanone (4-bromophenyl)-[(4R)-4-propylaz…

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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) 4.38 10.04 -6.76 0 2 0 20 324.262 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluorophenyl)-[(4R)-4-propylazepan-1-yl]methanone (4-fluorophenyl)-[(4R)-4-propyla…

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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) 3.73 9.48 -7.25 0 2 0 20 263.356 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-hydroxyphenyl)-[(4R)-4-propylazepan-1-yl]methanone (2-hydroxyphenyl)-[(4R)-4-propyl…

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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) 4.06 6.93 -10.88 1 3 0 41 261.365 3 ↓
    Hi High (pH 8-9.5) 4.06 7.74 -58.38 0 3 -1 43 260.357 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(azepane-1-carbonyl)-2-chloro-phenyl]methanesulfonamide N-[5-(azepane-1-carbonyl)-2-chlo…

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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) 2.16 4.79 -51.9 0 5 -1 69 329.829 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(3,5-dichloro-4-methoxy-phenyl)methanone azepan-1-yl-(3,5-dichloro-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) 3.59 7.94 -6.63 0 3 0 30 302.201 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(2-methoxy-5-methyl-phenyl)methanone azepan-1-yl-(2-methoxy-5-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) 3.30 7.79 -11.31 0 3 0 30 247.338 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(azepane-1-carbonyl)-2-methyl-phenyl]methanesulfonamide N-[3-(azepane-1-carbonyl)-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) 1.90 4.9 -14.14 1 5 0 66 310.419 3 ↓
    Hi High (pH 8-9.5) 1.90 4.97 -42.19 0 5 -1 69 309.411 3 ↓

    Analogs

    37795509
    37795509

    Draw Identity 99% 90% 80% 70%

    Popular Name: pentanoic acid, 5-[[2-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]amino]-5-oxo- pentanoic acid, 5-[[2-[(hexahydr…

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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 7.97 -58.58 1 6 -1 90 331.392 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-[5-bromo-2-(difluoromethoxy)phenyl]methanone azepan-1-yl-[5-bromo-2-(difluoro…

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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) 4.22 1.25 -8.97 0 3 0 29 348.187 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-[4-(difluoromethoxy)-3-methoxy-phenyl]methanone azepan-1-yl-[4-(difluoromethoxy)…

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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 2.29 -10.62 0 4 0 38 299.317 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[3-(1-Azepanylcarbonyl)anilino]-4-oxobutanoic acid 4-[3-(1-Azepanylcarbonyl)anilino…

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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 6.78 -59.63 1 6 -1 90 317.365 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: propanamide, N-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]- propanamide, N-[3-[(hexahydro-1H…

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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) 2.35 6.99 -18.12 1 4 0 49 274.364 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 2.91 7.76 -17.9 1 4 0 49 288.391 4 ↓

    Analogs

    6273267
    6273267
    6310352
    6310352
    466760
    466760

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 3.17 8.21 -17.7 1 4 0 49 302.418 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1H-azepine, hexahydro-1-[2-[[(2-propenylamino)thioxomethyl]amino]benzoyl]- 1H-azepine, hexahydro-1-[2-[[(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) 2.33 8.73 -12.67 2 4 0 44 317.458 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1H-azepine, hexahydro-1-[4-[[(2-propenylamino)thioxomethyl]amino]benzoyl]- 1H-azepine, hexahydro-1-[4-[[(2-…

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    Activity (Go SEA)

    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) 2.37 8.55 -13.04 2 4 0 44 317.458 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1H-azepine, hexahydro-1-[3-[[(2-propenylamino)thioxomethyl]amino]benzoyl]- 1H-azepine, hexahydro-1-[3-[[(2-…

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    Activity (Go SEA)

    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) 2.35 8.45 -19.1 2 4 0 44 317.458 6 ↓

    Analogs

    34959013
    34959013

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(3-fluoro-4-methyl-phenyl)methanone azepan-1-yl-(3-fluoro-4-methyl-p…

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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) 2.86 8.15 -6.79 0 2 0 20 235.302 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone azepan-1-yl-[4-(trifluoromethyls…

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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) 6.30 8.91 -8.25 0 2 0 20 303.349 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(3-methoxy-4-methyl-phenyl)methanone azepan-1-yl-(3-methoxy-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) 2.75 7.49 -9.42 0 3 0 30 247.338 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(4-bromo-3,5-dimethoxy-phenyl)methanone azepan-1-yl-(4-bromo-3,5-dimetho…

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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) 3.10 6.78 -9.69 0 4 0 39 342.233 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: azepan-1-yl-(4-chloro-2-fluoro-phenyl)methanone azepan-1-yl-(4-chloro-2-fluoro-p…

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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) 3.09 8.08 -9.99 0 2 0 20 255.72 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(azepane-1-carbonyl)phenyl]-N-methyl-ethanesulfonamide N-[4-(azepane-1-carbonyl)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) 2.17 6.3 -16.76 0 5 0 58 324.446 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 3.23 8.7 -8.43 0 2 0 20 231.339 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: acetamide, N-[4-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-2-(2-propenylamino)- acetamide, N-[4-[(hexahydro-1H-a…

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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) 1.94 7.21 -52.33 3 5 1 66 316.425 6 ↓
    Hi High (pH 8-9.5) 1.94 5.85 -12.55 2 5 0 61 315.417 6 ↓

    Parameters Provided:

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filter.purchasability = annotated
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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=24088&filter.purchasability=annotated

    Embed Link to Results

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