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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamid 4-[2-[[(1R)-1-methylpropyl]amino…

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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) 3.34 4.71 -13.59 2 7 0 74 402.417 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamid 4-[2-[[(1S)-1-methylpropyl]amino…

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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) 3.34 4.71 -13.57 2 7 0 74 402.417 7 ↓

    Analogs

    14349
    14349

    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) 3.33 8.52 -45.39 2 4 1 37 316.347 4 ↓
    Mid Mid (pH 6-8) 3.33 6.29 -7.23 1 4 0 36 315.339 4 ↓

    Analogs

    40103537
    40103537

    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) 3.00 -1.1 -43.33 2 4 1 36 333.637 1 ↓

    Analogs

    37039305
    37039305
    39971738
    39971738

    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) 2.41 0.29 -45.26 2 4 1 37 248.35 1 ↓

    Analogs

    37037815
    37037815

    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) 2.89 7.72 -46.71 2 5 1 46 292.403 5 ↓
    Mid Mid (pH 6-8) 2.89 5.5 -9.77 1 5 0 45 291.395 5 ↓

    Analogs

    6653106
    6653106

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-butylphenyl)(4-formylpiperazinyl)formamide N-(4-butylphenyl)(4-formylpipera…

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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) 2.83 7.62 -15.51 1 5 0 53 289.379 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-ethylphenyl)(4-formylpiperazinyl)formamide N-(2-ethylphenyl)(4-formylpipera…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.83 6.24 -15.63 1 5 0 53 261.325 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-fluorophenyl)(4-formylpiperazinyl)formamide N-(4-fluorophenyl)(4-formylpiper…

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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 4.69 -16.32 1 5 0 53 251.261 1 ↓

    Analogs

    6698760
    6698760

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-formylpiperazinyl)-N-(4-methoxyphenyl)formamide (4-formylpiperazinyl)-N-(4-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) 1.02 3.91 -17.43 1 6 0 62 263.297 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromo-4-fluoro-phenyl)-4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carboxamide N-(2-bromo-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) 3.30 5.76 -11.1 2 6 0 65 415.307 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromo-4-fluoro-phenyl)-4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carboxamide N-(2-bromo-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) 3.30 5.76 -11.06 2 6 0 65 415.307 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) 2.93 6.74 -8.44 1 6 0 62 374.21 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-difluorophenyl)piperazine-1-carboxamide N-(3,4-difluorophenyl)piperazine…

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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) 1.24 4.04 -56.22 3 4 1 49 242.249 1 ↓
    Mid Mid (pH 6-8) 1.24 2.75 -11.91 2 4 0 44 241.241 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-fluoro-4-methoxy-phenyl)piperazine-1-carboxamide N-(3-fluoro-4-methoxy-phenyl)pip…

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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 3.29 -56.77 3 5 1 58 254.285 2 ↓
    Mid Mid (pH 6-8) 1.14 2 -13.78 2 5 0 54 253.277 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2-(3,3-dimethylbutanoylamino)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide 4-[2-(3,3-dimethylbutanoylamino)…

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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) 2.15 6.31 -13.59 2 7 0 82 378.448 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-propoxyphenyl)piperazine-1-carboxamide N-(4-propoxyphenyl)piperazine-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) 1.92 4.93 -52.01 3 5 1 58 264.349 4 ↓
    Mid Mid (pH 6-8) 1.92 3.65 -9.77 2 5 0 54 263.341 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-4-methoxy-phenyl)-4-isopentyl-piperazine-1-carboxamide N-(2-chloro-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) 3.90 8.73 -44.98 2 5 1 46 340.875 5 ↓
    Mid Mid (pH 6-8) 3.90 6.51 -6.42 1 5 0 45 339.867 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-4-methoxy-phenyl)-4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carboxamide N-(2-chloro-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) 3.06 4.86 -12.81 2 7 0 74 382.892 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-hydroxyethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide 4-(2-hydroxyethyl)-N-(4-methoxyp…

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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) 1.01 0.62 -14.23 2 6 0 65 279.34 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-ethoxybutanoyl)-N-(4-fluorophenyl)piperazine-1-carboxamide 4-(4-ethoxybutanoyl)-N-(4-fluoro…

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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 6.78 -15.29 1 6 0 62 337.395 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-fluorophenyl)-4-[(2S)-2-methylsulfanylpropanoyl]piperazine-1-carboxamide N-(4-fluorophenyl)-4-[(2S)-2-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) 1.96 6.85 -14.8 1 5 0 53 325.409 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-fluorophenyl)-4-[(2R)-2-methylsulfanylpropanoyl]piperazine-1-carboxamide N-(4-fluorophenyl)-4-[(2R)-2-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) 1.96 6.92 -14.63 1 5 0 53 325.409 3 ↓

    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) 1.57 4.61 -19.98 2 8 0 91 366.393 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-cyano-2-methyl-propanoyl)-N-(4-fluorophenyl)piperazine-1-carboxamide 4-(2-cyano-2-methyl-propanoyl)-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) 2.01 6.23 -13.43 1 6 0 76 318.352 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-chloro-4-(methylcarbamoyl)phenyl]-4-isopentyl-piperazine-1-carboxamide N-[3-chloro-4-(methylcarbamoyl)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) 3.03 7.6 -53.97 3 6 1 66 367.901 5 ↓
    Mid Mid (pH 6-8) 3.03 5.37 -12.2 2 6 0 65 366.893 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethoxy-3-fluoro-phenyl)-4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carboxamide N-(4-ethoxy-3-fluoro-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) 2.92 5.22 -15.52 2 7 0 74 380.464 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethoxy-3-fluoro-phenyl)-4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carboxamide N-(4-ethoxy-3-fluoro-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) 2.92 5.22 -15.54 2 7 0 74 380.464 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethoxy-3-fluoro-phenyl)-4-[2-(isopropylamino)-2-oxo-ethyl]piperazine-1-carboxamide N-(4-ethoxy-3-fluoro-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) 2.39 4.31 -20.18 2 7 0 74 366.437 6 ↓

    Analogs

    39971758
    39971758

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,5-difluoro-4-methoxy-phenyl)-4-isopentyl-piperazine-1-carboxamide N-(3,5-difluoro-4-methoxy-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) 3.48 8.34 -51.56 2 5 1 46 342.41 5 ↓
    Mid Mid (pH 6-8) 3.48 6.12 -9.95 1 5 0 45 341.402 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-butoxyphenyl)-4-[2-(isopropylamino)-2-oxo-ethyl]piperazine-1-carboxamide N-(2-butoxyphenyl)-4-[2-(isoprop…

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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) 3.31 5.95 -13.95 2 7 0 74 376.501 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carbox N-[4-[(1S)-1-methylpropoxy]pheny…

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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) 3.70 6.6 -15.43 2 7 0 74 390.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carbox N-[4-[(1S)-1-methylpropoxy]pheny…

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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) 3.70 6.59 -15.44 2 7 0 74 390.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(1R)-1-methylpropoxy]phenyl]-4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carbox N-[4-[(1R)-1-methylpropoxy]pheny…

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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) 3.70 6.61 -15.45 2 7 0 74 390.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(1R)-1-methylpropoxy]phenyl]-4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1-carbox N-[4-[(1R)-1-methylpropoxy]pheny…

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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) 3.70 6.61 -15.46 2 7 0 74 390.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-4-isopentyl-piperazine-1-carboxamide N-[3-fluoro-4-(2-methoxyethoxy)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) 3.27 8.35 -51.52 2 6 1 55 368.473 8 ↓
    Mid Mid (pH 6-8) 3.27 6.14 -11.25 1 6 0 54 367.465 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3,3-dimethylbutyl)-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperazine-1-carboxamide 4-(3,3-dimethylbutyl)-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) 3.59 8.74 -52.05 2 6 1 55 382.5 8 ↓
    Mid Mid (pH 6-8) 3.59 6.53 -11.14 1 6 0 54 381.492 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[2-(dimethylamino)-2-oxo-ethoxy]-4-methyl-phenyl]-4-isopentyl-piperazine-1-carboxamide N-[2-[2-(dimethylamino)-2-oxo-et…

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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) 2.58 10.44 -46.35 2 7 1 66 391.536 7 ↓
    Mid Mid (pH 6-8) 2.58 8.22 -14.45 1 7 0 65 390.528 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(diethylcarbamoyl)phenyl]-4-(3,3-dimethylbutyl)piperazine-1-carboxamide N-[2-(diethylcarbamoyl)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) 3.23 11.28 -44.82 2 6 1 57 389.564 7 ↓
    Mid Mid (pH 6-8) 3.23 9.08 -11.64 1 6 0 56 388.556 7 ↓

    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) 3.51 9.68 -54.36 2 7 1 66 377.509 6 ↓
    Mid Mid (pH 6-8) 3.51 7.48 -15.16 1 7 0 65 376.501 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2-(diethylamino)-2-oxo-ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide 4-[2-(diethylamino)-2-oxo-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) 1.74 5.43 -16.59 1 7 0 65 348.447 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-bromo-2-methoxy-6-methyl-phenyl)-4-(2,2-difluoroethyl)piperazine-1-carboxamide N-(4-bromo-2-methoxy-6-methyl-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) 3.32 7.06 -11.36 1 5 0 45 392.244 4 ↓

    Analogs

    42791765
    42791765
    42845796
    42845796

    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) 2.70 6.52 -17.39 1 6 0 62 341.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-carbamoylphenyl)-4-(2,2-difluoroethyl)piperazine-1-carboxamide N-(4-carbamoylphenyl)-4-(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) 0.97 1.86 -14.19 3 6 0 79 312.32 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2-amino-2-oxo-ethyl)phenyl]-4-(2,2-difluoroethyl)piperazine-1-carboxamide N-[4-(2-amino-2-oxo-ethyl)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) 1.06 2.54 -17.5 3 6 0 79 326.347 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2,2-difluoroethyl)-N-[3-(dimethylcarbamoyl)phenyl]piperazine-1-carboxamide 4-(2,2-difluoroethyl)-N-[3-(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) 1.09 4.94 -14.94 1 6 0 56 340.374 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-(2,2-difluoroethyl)piperazine-1-carboxamide N-(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) 3.19 5.52 -9 1 5 0 45 347.793 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chlorophenyl)-4-(2,2-difluoroethyl)piperazine-1-carboxamide N-(2-chlorophenyl)-4-(2,2-difluo…

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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) 2.78 5.62 -8.47 1 4 0 36 303.74 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2,2-difluoroethyl)-N-(3-nitrophenyl)piperazine-1-carboxamide 4-(2,2-difluoroethyl)-N-(3-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) 2.09 5.77 -10.82 1 7 0 81 314.292 4 ↓

    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) 2.70 6.64 -13.84 1 6 0 62 341.358 6 ↓

    Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=3534&filter.purchasability=annotated

    Embed Link to Results

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