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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1-acetyl-4-piperidyl)-3-[3-(trifluoromethoxy)phenyl]urea 1-(1-acetyl-4-piperidyl)-3-[3-(t…

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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 4.18 -17.59 2 6 0 71 345.321 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1-methyl-4-piperidyl)-3-[3-(trifluoromethoxy)phenyl]urea 1-(1-methyl-4-piperidyl)-3-[3-(t…

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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) 2.81 5.18 -44.04 3 5 1 55 318.319 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,2,6,6-tetramethyl-4-piperidyl)-3-[3-(trifluoromethoxy)phenyl]urea 1-(2,2,6,6-tetramethyl-4-piperid…

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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) 4.18 5.25 -42.87 4 5 1 67 360.4 4 ↓
    Lo Low (pH 4.5-6) 3.81 4.02 -93.69 5 5 2 72 361.408 5 ↓

    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) 3.72 -0.96 -41.6 3 4 1 45 290.431 4 ↓

    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) 3.72 -0.96 -41.57 3 4 1 45 290.431 4 ↓

    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) 2.67 6.04 -42.5 3 4 1 46 313.219 2 ↓

    Analogs

    37116624
    37116624

    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) 3.13 -2.05 -40.78 3 4 1 45 303.213 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) 3.13 -1.67 -40.81 3 5 1 54 306.43 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) 3.57 -0.95 -41.96 3 4 1 45 290.431 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-ethoxyphenyl)-3-(1-methyl-4-piperidyl)-urea 1-(2-ethoxyphenyl)-3-(1-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) 2.25 -1.78 -41.03 3 5 1 54 278.376 4 ↓

    Analogs

    46902392
    46902392

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 2.97 -2.55 -10.81 2 6 0 70 325.796 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-(1-methyl-4-piperidyl)urea 1-(2-bromo-4-fluoro-phenyl)-3-(1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.77 6.22 -40.72 3 4 1 46 331.209 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 3.22 5.99 -10.37 2 6 0 71 388.237 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-(2,2,6,6-tetramethyl-4-piperidyl)urea 1-(2-bromo-4-fluoro-phenyl)-3-(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) 4.14 6.33 -39.28 4 4 1 58 373.29 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-[1-(2-ethylbutanoyl)-4-piperidyl]urea 1-(2-chloro-4-methoxy-phenyl)-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) 3.98 6.91 -13.42 2 6 0 71 381.904 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-(2,2,6,6-tetramethyl-4-piperidyl)urea 1-(2-chloro-4-methoxy-phenyl)-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) 3.90 5.39 -39.88 4 5 1 67 340.875 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-(1-methyl-4-piperidyl)urea 1-(2-chloro-4-methoxy-phenyl)-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) 2.53 5.31 -41.13 3 5 1 55 298.794 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[(3-butoxyphenyl)carbamoylamino]-1-piperidyl]-N-propyl-acetamide 2-[4-[(3-butoxyphenyl)carbamoyla…

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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) 3.82 7.17 -45.21 4 7 1 84 391.536 10 ↓
    Mid Mid (pH 6-8) 3.82 4.99 -12.91 3 7 0 83 390.528 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-diethyl-4-(phenylcarbamoylamino)piperidine-1-carboxamide N,N-diethyl-4-(phenylcarbamoylam…

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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) 2.51 6.23 -13.43 2 6 0 65 318.421 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-methyl-4-[(2,2,6,6-tetramethyl-4-piperidyl)carbamoylamino]benzamide 2-chloro-N-methyl-4-[(2,2,6,6-te…

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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) 3.04 4.29 -47.63 5 6 1 87 367.901 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-ethoxy-3-fluoro-phenyl)-3-[1-(2-ethylbutanoyl)-4-piperidyl]urea 1-(4-ethoxy-3-fluoro-phenyl)-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) 3.84 7.26 -19.65 2 6 0 71 379.476 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-ethoxy-3-fluoro-phenyl)-3-(1-isobutyl-4-piperidyl)urea 1-(4-ethoxy-3-fluoro-phenyl)-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) 3.51 7.81 -45.98 3 5 1 55 338.447 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-ethoxy-3-fluoro-phenyl)-3-(1-methyl-4-piperidyl)urea 1-(4-ethoxy-3-fluoro-phenyl)-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) 2.39 5.72 -47.18 3 5 1 55 296.366 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-ethoxy-3-fluoro-phenyl)-3-(2,2,6,6-tetramethyl-4-piperidyl)urea 1-(4-ethoxy-3-fluoro-phenyl)-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) 3.76 5.72 -43.34 4 5 1 67 338.447 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2-ethylbutanoyl)-4-piperidyl]-3-[4-[(1R)-1-methylpropoxy]phenyl]urea 1-[1-(2-ethylbutanoyl)-4-piperid…

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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) 4.61 8.46 -15.73 2 6 0 71 389.54 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2-ethylbutanoyl)-4-piperidyl]-3-[4-[(1S)-1-methylpropoxy]phenyl]urea 1-[1-(2-ethylbutanoyl)-4-piperid…

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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) 4.61 8.47 -16.29 2 6 0 71 389.54 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1-isobutyl-4-piperidyl)-3-(2-methyl-4-propoxy-phenyl)urea 1-(1-isobutyl-4-piperidyl)-3-(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) 4.30 9.43 -42.05 3 5 1 55 348.511 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-methyl-4-propoxy-phenyl)-3-(2,2,6,6-tetramethyl-4-piperidyl)urea 1-(2-methyl-4-propoxy-phenyl)-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) 4.55 7.36 -42 4 5 1 67 348.511 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-butoxyphenyl)-3-[1-(2-ethylbutanoyl)-4-piperidyl]urea 1-(2-butoxyphenyl)-3-[1-(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) 4.76 8.92 -13.85 2 6 0 71 389.54 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[(2-butoxyphenyl)carbamoylamino]-1-piperidyl]-N-propyl-acetamide 2-[4-[(2-butoxyphenyl)carbamoyla…

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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) 3.80 7.32 -43.81 4 7 1 84 391.536 10 ↓
    Mid Mid (pH 6-8) 3.80 5.14 -12.38 3 7 0 83 390.528 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(5-bromo-2-methoxy-phenyl)-3-(1-isobutyl-4-piperidyl)urea 1-(5-bromo-2-methoxy-phenyl)-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) 3.78 7.55 -40.61 3 5 1 55 385.326 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.98 7.85 -50.47 3 6 1 72 356.393 6 ↓
    Hi High (pH 8-9.5) 2.98 5.74 -18.46 2 6 0 71 355.385 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-4-[[1-(2,2-difluoroethyl)-4-piperidyl]carbamoylamino]benzamide 2-chloro-4-[[1-(2,2-difluoroethy…

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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) 1.86 3.61 -54.77 5 6 1 89 361.8 5 ↓
    Hi High (pH 8-9.5) 1.86 1.5 -21.25 4 6 0 87 360.792 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[1-(2,2-difluoroethyl)-4-piperidyl]carbamoylamino]benzamide 4-[[1-(2,2-difluoroethyl)-4-pipe…

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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) 1.25 3.13 -53.15 5 6 1 89 327.355 5 ↓
    Hi High (pH 8-9.5) 1.25 1.01 -19.18 4 6 0 87 326.347 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[[1-(2,2-difluoroethyl)-4-piperidyl]carbamoylamino]phenyl]acetamide 2-[4-[[1-(2,2-difluoroethyl)-4-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) 1.35 3.82 -50.95 5 6 1 89 341.382 6 ↓
    Hi High (pH 8-9.5) 1.35 1.7 -18.31 4 6 0 87 340.374 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[1-(2,2-difluoroethyl)-4-piperidyl]carbamoylamino]-N,N-dimethyl-benzamide 3-[[1-(2,2-difluoroethyl)-4-pipe…

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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 6.16 -53.19 3 6 1 66 355.409 5 ↓
    Hi High (pH 8-9.5) 1.38 4.02 -24.29 2 6 0 65 354.401 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2,2-difluoroethyl)-4-piperidyl]-3-[4-(dimethylsulfamoyl)phenyl]urea 1-[1-(2,2-difluoroethyl)-4-piper…

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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 4.29 -52.61 3 7 1 83 391.464 6 ↓
    Hi High (pH 8-9.5) 1.75 2.22 -17.73 2 7 0 82 390.456 6 ↓

    Analogs

    43348925
    43348925
    43349488
    43349488

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chloro-2-methoxy-5-methyl-phenyl)-3-[1-(2,2-difluoroethyl)-4-piperidyl]urea 1-(4-chloro-2-methoxy-5-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) 3.47 6.84 -44.1 3 5 1 55 362.828 5 ↓
    Hi High (pH 8-9.5) 3.47 4.74 -10.23 2 5 0 54 361.82 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-cyanophenyl)-3-[1-(2,2-difluoroethyl)-4-piperidyl]urea 1-(3-cyanophenyl)-3-[1-(2,2-difl…

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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 6.73 -49.18 3 5 1 69 309.34 4 ↓
    Hi High (pH 8-9.5) 2.17 4.61 -15.82 2 5 0 68 308.332 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chlorophenyl)-3-[1-(2,2-difluoroethyl)-4-piperidyl]urea 1-(2-chlorophenyl)-3-[1-(2,2-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) 3.06 6.97 -43.09 3 4 1 46 318.775 4 ↓
    Hi High (pH 8-9.5) 3.06 4.84 -9.9 2 4 0 44 317.767 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2,2-difluoroethyl)-4-piperidyl]-3-(2-fluorophenyl)urea 1-[1-(2,2-difluoroethyl)-4-piper…

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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) 2.55 6.45 -43.51 3 4 1 46 302.32 4 ↓
    Hi High (pH 8-9.5) 2.55 4.32 -10.49 2 4 0 44 301.312 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2,2-difluoroethyl)-4-piperidyl]-3-(3-nitrophenyl)urea 1-[1-(2,2-difluoroethyl)-4-piper…

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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 7.04 -52.45 3 7 1 91 329.327 5 ↓
    Hi High (pH 8-9.5) 2.37 4.93 -19.05 2 7 0 90 328.319 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 2.98 7.92 -48.72 3 6 1 72 356.393 7 ↓
    Hi High (pH 8-9.5) 2.98 5.8 -13.5 2 6 0 71 355.385 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-acetylphenyl)-3-[1-(2,2-difluoroethyl)-4-piperidyl]urea 1-(4-acetylphenyl)-3-[1-(2,2-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) 2.33 6.76 -51.57 3 5 1 63 326.367 5 ↓
    Hi High (pH 8-9.5) 2.33 4.72 -17.87 2 5 0 61 325.359 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-cyanophenyl)-3-[1-(2,2-difluoroethyl)-4-piperidyl]urea 1-(4-cyanophenyl)-3-[1-(2,2-difl…

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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 6.73 -48.79 3 5 1 69 309.34 4 ↓
    Hi High (pH 8-9.5) 2.19 4.61 -13.58 2 5 0 68 308.332 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2,2-difluoroethyl)-4-piperidyl]-3-(4-methoxyphenyl)urea 1-[1-(2,2-difluoroethyl)-4-piper…

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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) 2.49 5.62 -46.08 3 5 1 55 314.356 5 ↓
    Hi High (pH 8-9.5) 2.49 3.5 -12.38 2 5 0 54 313.348 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2,2-difluoroethyl)-4-piperidyl]-3-(3-methoxyphenyl)urea 1-[1-(2,2-difluoroethyl)-4-piper…

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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) 2.47 5.59 -45.49 3 5 1 55 314.356 5 ↓
    Hi High (pH 8-9.5) 2.47 3.48 -11.96 2 5 0 54 313.348 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chlorophenyl)-3-[1-(2,2-difluoroethyl)-4-piperidyl]urea 1-(4-chlorophenyl)-3-[1-(2,2-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) 3.11 6.86 -45.32 3 4 1 46 318.775 4 ↓
    Hi High (pH 8-9.5) 3.11 4.73 -11.09 2 4 0 44 317.767 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2,2-difluoroethyl)-4-piperidyl]-3-(2,4-difluorophenyl)urea 1-[1-(2,2-difluoroethyl)-4-piper…

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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) 2.69 6.52 -43.71 3 4 1 46 320.31 4 ↓
    Hi High (pH 8-9.5) 2.69 4.39 -9.05 2 4 0 44 319.302 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[1-(2,2-difluoroethyl)-4-piperidyl]-3-(m-tolyl)urea 1-[1-(2,2-difluoroethyl)-4-piper…

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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 6.99 -44.84 3 4 1 46 298.357 4 ↓
    Hi High (pH 8-9.5) 2.86 4.86 -11.93 2 4 0 44 297.349 4 ↓

    Parameters Provided:

    ring.id = 3469
filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 3469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=3469&filter.purchasability=annotated

    Embed Link to Results

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