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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: 2-[[4-chloro-6-[(3S)-4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-(1,4-dioxa- 2-[[4-chloro-6-[(3S)-4-(cyclopro…

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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 9.34 -13.83 0 9 0 88 496.033 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-chloro-6-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-(1,4-dioxa- 2-[[4-chloro-6-[(3R)-4-(cyclopro…

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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 9.61 -14.47 0 9 0 88 496.033 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-chloro-6-[(3S)-4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-(1,4-dioxa- 2-[[4-chloro-6-[(3S)-4-(cyclopen…

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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 8.71 -14.27 0 9 0 88 524.087 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-chloro-6-[(3R)-4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-(1,4-dioxa- 2-[[4-chloro-6-[(3R)-4-(cyclopen…

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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 9.26 -16.15 0 9 0 88 524.087 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-4-[6-chloro-2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-keto-ethyl]thio]pyrimidin-4-yl]-2- 1-[(2R)-4-[6-chloro-2-[[2-(1,4-d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.34 9.66 -17.12 0 9 0 88 498.049 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-4-[6-chloro-2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-keto-ethyl]thio]pyrimidin-4-yl]-2- 1-[(2S)-4-[6-chloro-2-[[2-(1,4-d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.34 9.44 -16.5 0 9 0 88 498.049 6 ↓

    Analogs

    6613506
    6613506
    6613510
    6613510
    6613516
    6613516

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)cyclohexane-1-carboxylic 2-(1,4-dioxa-8-azaspiro[4.5]dec-…

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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) 1.34 -1.85 -62.35 0 6 -1 78 296.343 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) 2.35 4.38 -9.85 0 5 0 56 311.403 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) 2.52 -1.28 -11.74 1 7 0 77 334.372 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 -0.65 -38.8 1 3 1 22 268.764 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) 2.47 6.2 -43.17 2 5 1 52 311.789 3 ↓

    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) 3.21 -2.37 -40.82 2 5 1 52 390.685 3 ↓

    Analogs

    31945400
    31945400

    Draw Identity 99% 90% 80% 70%


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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) 2.24 -1.32 -40.64 2 5 1 52 291.371 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 0.88 -2.03 -39.75 2 6 1 65 281.332 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 1.33 -1.03 -42.01 2 7 1 78 341.409 5 ↓

    Analogs

    35460820
    35460820

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[5-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-2-methyl-indolin-1-yl]propan-1-one 1-[5-(1,4-dioxa-8-azaspiro[4.5]d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.46 -5.01 -13.56 0 7 0 76 394.493 3 ↓

    Analogs

    35460820
    35460820

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[5-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-2-methyl-indolin-1-yl]propan-1-one 1-[5-(1,4-dioxa-8-azaspiro[4.5]d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.46 -5.02 -13.64 0 7 0 76 394.493 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (2S)-2-(4-chlorophenyl)-N-cyclop…

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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) 3.39 7.1 -8.32 1 5 0 51 378.9 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (2R)-2-(4-chlorophenyl)-N-cyclop…

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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) 3.39 6.93 -8.91 1 5 0 51 378.9 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide (2S)-2-(4-chlorophenyl)-2-(1,4-d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.62 5.55 -9.65 1 6 0 60 396.915 8 ↓

    Analogs

    20155409
    20155409
    20155411
    20155411
    20155413
    20155413

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl-diethoxy-BLAHone 1,4-dioxa-8-azaspiro[4.5]dec-8-y…

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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) 2.27 -1.18 -20.66 0 8 0 77 506.599 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(2,4-dimethylphenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methan [2-(2,4-dimethylphenyl)-5-(3-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) 4.36 10.79 -14.83 0 7 0 66 447.535 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-thienyl)p (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 4.97 14.94 -16.35 0 5 0 44 504.627 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-thienyl)p (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 4.97 14.94 -15.52 0 5 0 44 504.627 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-4-phenyl-butan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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 11.26 -14.38 1 5 0 55 404.51 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-4-phenyl-butan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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 11.27 -12.85 1 5 0 55 404.51 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-3-phenyl-propan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.55 10.31 -13.14 1 5 0 55 390.483 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-3-phenyl-propan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.55 10.31 -13.28 1 5 0 55 390.483 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(7-ethyl-1H-indol-3-yl)-4-phenyl-butan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 4.63 12.75 -12.98 1 5 0 55 432.564 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(7-ethyl-1H-indol-3-yl)-4-phenyl-butan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 4.63 12.67 -12.95 1 5 0 55 432.564 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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 12.1 -13.71 0 5 0 44 422.5 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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 12.1 -13.61 0 5 0 44 422.5 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-(3-thienyl)propan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.21 11.05 -13.24 0 5 0 44 410.539 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-(3-thienyl)propan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.21 11.05 -13.12 0 5 0 44 410.539 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-4-phenyl-butan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.83 12.89 -15.25 0 5 0 44 418.537 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-4-phenyl-butan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.83 12.89 -15.15 0 5 0 44 418.537 5 ↓

    Analogs

    35891398
    35891398
    35891401
    35891401

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-(m-tolyl)propan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 4.04 12.7 -13.31 0 5 0 44 418.537 4 ↓

    Analogs

    35891398
    35891398
    35891401
    35891401

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-(m-tolyl)propan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 4.04 12.7 -13.39 0 5 0 44 418.537 4 ↓

    Analogs

    35891398
    35891398
    35891401
    35891401

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenyl-propan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.62 12.03 -13.33 0 5 0 44 404.51 4 ↓

    Analogs

    35891398
    35891398
    35891401
    35891401

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenyl-propan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.62 12.03 -13.24 0 5 0 44 404.51 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-(2-thienyl)propan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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 11.42 -12.09 0 5 0 44 410.539 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-(2-thienyl)propan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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 11.42 -12.07 0 5 0 44 410.539 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propan-1-one (3S)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 5.35 14.85 -17.53 0 6 0 53 496.607 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propan-1-one (3R)-1-(1,4-dioxa-8-azaspiro[4.5…

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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) 5.35 14.85 -16.99 0 6 0 53 496.607 6 ↓

    Analogs

    35891398
    35891398
    35891401
    35891401

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one (3S)-3-(3-chlorophenyl)-1-(1,4-d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.27 12.55 -14.68 0 5 0 44 438.955 4 ↓

    Analogs

    35891398
    35891398
    35891401
    35891401

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one (3R)-3-(3-chlorophenyl)-1-(1,4-d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.27 12.55 -14.58 0 5 0 44 438.955 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-3-(1-benzylindol-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-thienyl)propan-1-one (3R)-3-(1-benzylindol-3-yl)-1-(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) 4.80 14.88 -14.22 0 5 0 44 486.637 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-(1-benzylindol-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-thienyl)propan-1-one (3S)-3-(1-benzylindol-3-yl)-1-(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) 4.80 14.87 -13.65 0 5 0 44 486.637 6 ↓

    Analogs

    35497675
    35497675

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(1S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(o-tolyl)thieno[2,3- 2-[(1S)-2-(1,4-dioxa-8-azaspiro[…

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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 11.13 -15.91 0 7 0 74 471.604 4 ↓

    Analogs

    35497672
    35497672

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(1R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(o-tolyl)thieno[2,3- 2-[(1R)-2-(1,4-dioxa-8-azaspiro[…

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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 11.19 -15.85 0 7 0 74 471.604 4 ↓

    Parameters Provided:

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filter.purchasability = annotated
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    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=974&filter.purchasability=annotated

    Embed Link to Results

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