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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: (2R)-2-(4-ethylpiperazin-1-yl)-2-(2-methoxy-1-naphthyl)ethanamine (2R)-2-(4-ethylpiperazin-1-yl)-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) 2.16 7.16 -106.84 4 4 2 45 315.461 5 ↓
    Mid Mid (pH 6-8) 2.16 4.85 -45.97 3 4 1 43 314.453 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-ethylpiperazin-1-yl)-2-(2-methoxy-1-naphthyl)ethanamine (2S)-2-(4-ethylpiperazin-1-yl)-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) 2.16 7.08 -105.98 4 4 2 45 315.461 5 ↓
    Mid Mid (pH 6-8) 2.16 4.71 -46.07 3 4 1 43 314.453 5 ↓

    Analogs

    22118388
    22118388

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2-ethoxy-1-naphthyl)-2-(4-methylpiperazin-1-yl)ethanamine (2S)-2-(2-ethoxy-1-naphthyl)-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) 2.16 7.45 -106.7 4 4 2 45 315.461 5 ↓
    Mid Mid (pH 6-8) 2.16 4.98 -45.72 3 4 1 43 314.453 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2-ethoxy-1-naphthyl)-2-(4-methylpiperazin-1-yl)ethanamine (2R)-2-(2-ethoxy-1-naphthyl)-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) 2.16 7.47 -107.26 4 4 2 45 315.461 5 ↓
    Mid Mid (pH 6-8) 2.16 5 -45.6 3 4 1 43 314.453 5 ↓

    Analogs

    19288068
    19288068
    19366532
    19366532

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(4-methylpiperazin-1-yl)methyl]naphthalen-2-ol 1-[(4-methylpiperazin-1-yl)methy…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.73 5.01 -37.78 2 3 1 28 257.357 2 ↓
    Mid Mid (pH 6-8) 2.73 2.54 -7.81 1 3 0 27 256.349 2 ↓
    Mid Mid (pH 6-8) 2.73 4.88 -32.7 2 3 1 28 257.357 2 ↓

    Analogs

    45644254
    45644254

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxyethyl)-4-(1-naphthylmethyl)piperazine-1-carboxamide N-(2-methoxyethyl)-4-(1-naphthyl…

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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 6.09 -10.72 1 5 0 45 327.428 5 ↓
    Mid Mid (pH 6-8) 2.98 8.13 -48.03 2 5 1 46 328.436 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[4-(1-naphthylmethyl)piperazin-1-yl]butanenitrile (3S)-3-[4-(1-naphthylmethyl)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) 2.58 7.42 -9.1 0 3 0 30 293.414 4 ↓
    Mid Mid (pH 6-8) 2.58 9.69 -42.18 1 3 1 31 294.422 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-3-[4-(1-naphthylmethyl)piperazin-1-yl]butanenitrile (3R)-3-[4-(1-naphthylmethyl)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) 2.58 7.74 -9.05 0 3 0 30 293.414 4 ↓
    Mid Mid (pH 6-8) 2.58 9.75 -41.95 1 3 1 31 294.422 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[4-(1-naphthylmethyl)piperazin-1-yl]sulfonylpentanenitrile 5-[4-(1-naphthylmethyl)piperazin…

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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 7.85 -16.39 0 5 0 64 371.506 7 ↓
    Lo Low (pH 4.5-6) 2.40 9.9 -54.22 1 5 1 66 372.514 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-diethyl-4-[(4-hydroxy-1-naphthyl)methyl]piperazine-1-sulfonamide N,N-diethyl-4-[(4-hydroxy-1-naph…

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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) 2.66 4.21 -13.29 1 6 0 64 377.51 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) 3.61 7.3 -11.65 0 4 0 41 346.496 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6R)-2,6-dimethyl-1-(1-naphthylmethyl)piperazine (2S,6R)-2,6-dimethyl-1-(1-naphth…

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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 7.52 -41.25 2 2 1 20 255.385 2 ↓
    Hi High (pH 8-9.5) 2.86 6.17 -3.32 1 2 0 15 254.377 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6S)-2,6-dimethyl-1-(1-naphthylmethyl)piperazine (2S,6S)-2,6-dimethyl-1-(1-naphth…

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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 6.72 -39.55 2 2 1 20 255.385 2 ↓
    Hi High (pH 8-9.5) 2.86 5.38 -3.25 1 2 0 15 254.377 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,6R)-2,6-dimethyl-1-(1-naphthylmethyl)piperazine (2R,6R)-2,6-dimethyl-1-(1-naphth…

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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 6.86 -39.41 2 2 1 20 255.385 2 ↓
    Hi High (pH 8-9.5) 2.86 5.73 -3.21 1 2 0 15 254.377 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[4-(1-naphthylmethyl)piperazin-1-yl]propane-1-sulfonamide 3-[4-(1-naphthylmethyl)piperazin…

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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) 1.85 4.61 -51.86 3 5 1 68 348.492 6 ↓
    Mid Mid (pH 6-8) 1.85 2.35 -14.27 2 5 0 67 347.484 6 ↓
    Mid Mid (pH 6-8) 1.85 4.44 -47.81 3 5 1 68 348.492 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-(1-naphthalenylmethyl)- 1-piperazinepropanamine, 4-(1-na…

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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) 1.87 6.81 -94.96 4 3 2 35 285.435 5 ↓
    Mid Mid (pH 6-8) 1.87 4.71 -44.9 3 3 1 34 284.427 5 ↓
    Mid Mid (pH 6-8) 1.87 6.99 -109.26 4 3 2 35 285.435 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[(2-methoxy-1-naphthalenyl)methyl]- 1-piperazinepropanamine, 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) 1.88 6.23 -90.08 4 4 2 45 315.461 6 ↓
    Mid Mid (pH 6-8) 1.88 3.93 -45.95 3 4 1 43 314.453 6 ↓
    Mid Mid (pH 6-8) 1.88 6.21 -107.31 4 4 2 45 315.461 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[(2-propoxy-1-naphthalenyl)methyl]- 1-piperazinepropanamine, 4-[(2-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) 2.75 7.95 -90.01 4 4 2 45 343.515 8 ↓
    Mid Mid (pH 6-8) 2.75 5.65 -45.44 3 4 1 43 342.507 8 ↓
    Mid Mid (pH 6-8) 2.75 7.93 -107.39 4 4 2 45 343.515 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[(2-butoxy-1-naphthalenyl)methyl]- 1-piperazinepropanamine, 4-[(2-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) 3.31 8.73 -90.27 4 4 2 45 357.542 9 ↓
    Mid Mid (pH 6-8) 3.31 8.71 -107.52 4 4 2 45 357.542 9 ↓
    Mid Mid (pH 6-8) 3.31 6.44 -45.37 3 4 1 43 356.534 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(pentyloxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 3.82 9.51 -90.57 4 4 2 45 371.569 10 ↓
    Mid Mid (pH 6-8) 3.82 7.22 -45.4 3 4 1 43 370.561 10 ↓
    Mid Mid (pH 6-8) 3.82 9.5 -107.78 4 4 2 45 371.569 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(hexyloxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 4.32 10.29 -90.66 4 4 2 45 385.596 11 ↓
    Mid Mid (pH 6-8) 4.32 10.28 -107.86 4 4 2 45 385.596 11 ↓
    Mid Mid (pH 6-8) 4.32 8 -45.39 3 4 1 43 384.588 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(1-methylethoxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 2.62 7.77 -89.56 4 4 2 45 343.515 7 ↓
    Mid Mid (pH 6-8) 2.62 5.48 -45.52 3 4 1 43 342.507 7 ↓
    Mid Mid (pH 6-8) 2.62 7.76 -107.69 4 4 2 45 343.515 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(1-methylpropoxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 3.12 8.39 -90.1 4 4 2 45 357.542 8 ↓
    Mid Mid (pH 6-8) 3.12 6.11 -45.18 3 4 1 43 356.534 8 ↓
    Mid Mid (pH 6-8) 3.12 8.4 -107.7 4 4 2 45 357.542 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(1-methylpropoxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 3.12 8.59 -89.85 4 4 2 45 357.542 8 ↓
    Mid Mid (pH 6-8) 3.12 8.57 -107.19 4 4 2 45 357.542 8 ↓
    Mid Mid (pH 6-8) 3.12 6.29 -45.24 3 4 1 43 356.534 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(2-methylpropoxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 3.00 8.64 -90.41 4 4 2 45 357.542 8 ↓
    Mid Mid (pH 6-8) 3.00 6.34 -45.17 3 4 1 43 356.534 8 ↓
    Mid Mid (pH 6-8) 3.00 8.49 -107.83 4 4 2 45 357.542 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(3-methylbutoxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 3.53 9.25 -90.56 4 4 2 45 371.569 9 ↓
    Mid Mid (pH 6-8) 3.53 6.96 -45.23 3 4 1 43 370.561 9 ↓
    Mid Mid (pH 6-8) 3.53 9.24 -107.76 4 4 2 45 371.569 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(2-methoxyethoxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 1.77 6.4 -90.86 4 5 2 54 359.514 9 ↓
    Mid Mid (pH 6-8) 1.77 4.1 -47.71 3 5 1 53 358.506 9 ↓
    Mid Mid (pH 6-8) 1.77 6.38 -109.52 4 5 2 54 359.514 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[[2-(2-ethoxyethoxy)-1-naphthalenyl]methyl]- 1-piperazinepropanamine, 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) 2.14 7.36 -90.97 4 5 2 54 373.541 10 ↓
    Mid Mid (pH 6-8) 2.14 7.35 -109.61 4 5 2 54 373.541 10 ↓
    Mid Mid (pH 6-8) 2.14 5.07 -47.59 3 5 1 53 372.533 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-piperazinepropanamine, 4-[(2-ethoxy-1-naphthalenyl)methyl]- 1-piperazinepropanamine, 4-[(2-e…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.25 7.15 -89.76 4 4 2 45 329.488 7 ↓
    Mid Mid (pH 6-8) 2.25 4.85 -45.71 3 4 1 43 328.48 7 ↓
    Mid Mid (pH 6-8) 2.25 7.13 -107.26 4 4 2 45 329.488 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) 2.22 8.08 -45.5 2 6 1 63 370.473 8 ↓
    Mid Mid (pH 6-8) 2.22 5.98 -15.28 1 6 0 62 369.465 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2-methoxy-1-naphthyl)-2-piperazin-1-yl-acetonitrile (2S)-2-(2-methoxy-1-naphthyl)-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) 2.17 6.36 -46.36 2 4 1 53 282.367 3 ↓
    Hi High (pH 8-9.5) 2.17 5.01 -7.33 1 4 0 48 281.359 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2-methoxy-1-naphthyl)-2-piperazin-1-yl-acetonitrile (2R)-2-(2-methoxy-1-naphthyl)-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) 2.17 7.32 -45.89 2 4 1 53 282.367 3 ↓
    Hi High (pH 8-9.5) 2.17 5.98 -7.63 1 4 0 48 281.359 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(1-naphthyl)-2-piperazin-1-yl-propan-1-ol (2S)-2-(1-naphthyl)-2-piperazin-…

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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 3.39 -43.35 3 3 1 40 271.384 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(1-naphthyl)-2-piperazin-1-yl-propan-1-ol (2R)-2-(1-naphthyl)-2-piperazin-…

    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) 2.19 3.48 -43.29 3 3 1 40 271.384 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(1-naphthyl)-2-piperazin-1-yl-ethanol (2S)-2-(1-naphthyl)-2-piperazin-…

    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) 1.75 3.46 -42.13 3 3 1 40 257.357 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(1-naphthyl)-2-piperazin-1-yl-ethanol (2R)-2-(1-naphthyl)-2-piperazin-…

    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) 1.75 3.69 -42.23 3 3 1 40 257.357 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2-methoxy-1-naphthyl)-2-piperazin-1-yl-ethanol (2S)-2-(2-methoxy-1-naphthyl)-2-…

    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) 1.76 4.79 -40.48 3 4 1 49 287.383 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2-methoxy-1-naphthyl)-2-piperazin-1-yl-ethanol (2R)-2-(2-methoxy-1-naphthyl)-2-…

    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) 1.76 4.91 -40.83 3 4 1 49 287.383 4 ↓

    Parameters Provided:

    ring.id = 3942
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 = 3942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3942&filter.purchasability=annotated

    Embed Link to Results

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