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

    Analogs

    401600
    401600
    2036996
    2036996
    2036997
    2036997

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,3-Dioxolane, 2,2-dicyclohexyl-4-(2-piperidyl)-, hydrochloride, beta-; LS-62533; beta-2,2-Dicyclohexyl-4-(2-piperidyl)-1,3-dioxolane hydrochloride 1,3-Dioxolane, 2,2-dicyclohexyl-…

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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) 5.43 9.91 -42.27 2 3 1 35 322.513 3 ↓

    Analogs

    2032707
    2032707
    2032711
    2032711
    2032715
    2032715

    Draw Identity 99% 90% 80% 70%

    Popular Name: USAN) USAN)

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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) 0.48 -4.37 -6.53 1 3 0 38 244.028 2 ↓

    Analogs

    3830938
    3830938
    3830939
    3830939
    3830940
    3830940
    4213453
    4213453
    15848249
    15848249

    Draw Identity 99% 90% 80% 70%

    Popular Name: 266 266

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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) 0.85 -4.12 -5.65 1 3 0 38 258.055 2 ↓

    Analogs

    3874575
    3874575
    3874576
    3874576
    3874577
    3874577

    Draw Identity 99% 90% 80% 70%

    Popular Name: Oxapium iodide Oxapium iodide

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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 13.47 -34.35 0 3 1 18 344.519 4 ↓

    Analogs

    2034860
    2034860

    Draw Identity 99% 90% 80% 70%

    Popular Name: MI) MI)

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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 1.97 -31.84 0 3 1 18 146.21 2 ↓

    Analogs

    1678581
    1678581

    Draw Identity 99% 90% 80% 70%

    Popular Name: INN INN

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.79 1.73 -4.8 1 3 0 39 188.267 3 ↓

    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

    5781261
    5781261
    5781262
    5781262
    5781241
    5781241

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(tetramethylBLAHyl)propan-1-one 1-(tetramethylBLAHyl)propan-1-one

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.45 -0.71 -8.52 0 6 0 63 272.297 2 ↓

    Analogs

    5781241
    5781241
    5781243
    5781243

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(tetramethylBLAHyl)propan-1-one 1-(tetramethylBLAHyl)propan-1-one

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.45 -1.75 -9.37 0 6 0 63 272.297 2 ↓

    Analogs

    5781336
    5781336
    5781338
    5781338
    5781340
    5781340

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(1-ethylpropyl)-1,3-dioxolan-4-yl]methanol [2-(1-ethylpropyl)-1,3-dioxolan-…

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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) 1.60 -2.69 -5.44 1 3 0 38 174.24 4 ↓

    Analogs

    5781338
    5781338
    5781340
    5781340
    5781335
    5781335

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(1-ethylpropyl)-1,3-dioxolan-4-yl]methanol [2-(1-ethylpropyl)-1,3-dioxolan-…

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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) 1.60 -2.51 -5.64 1 3 0 38 174.24 4 ↓

    Analogs

    5781340
    5781340
    39378331
    39378331
    39378332
    39378332
    5781335
    5781335
    5781336
    5781336

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(1-ethylpropyl)-1,3-dioxolan-4-yl]methanol [2-(1-ethylpropyl)-1,3-dioxolan-…

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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) 1.60 -2.62 -5.7 1 3 0 38 174.24 4 ↓

    Analogs

    5839913
    5839913
    5843228
    5843228
    39378331
    39378331
    39378332
    39378332
    5781335
    5781335

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(1-ethylpropyl)-1,3-dioxolan-4-yl]methanol [2-(1-ethylpropyl)-1,3-dioxolan-…

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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) 1.60 -2.63 -5.31 1 3 0 38 174.24 4 ↓

    Analogs

    5781659
    5781659
    5781660
    5781660
    5781670
    5781670
    5781671
    5781671
    5781674
    5781674

    Draw Identity 99% 90% 80% 70%

    Popular Name: [7-(1,2-dihydroxyethyl)-3,3-dimethyl-2,4,6-trioxabicyclo[3.3.0]oct-8-yl] [7-(1,2-dihydroxyethyl)-3,3-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) 0.44 -4.56 -7.88 2 7 0 94 290.312 6 ↓

    Analogs

    5781670
    5781670
    5781671
    5781671
    5781674
    5781674
    5781676
    5781676
    5781654
    5781654

    Draw Identity 99% 90% 80% 70%

    Popular Name: [7-(1,2-dihydroxyethyl)-3,3-dimethyl-2,4,6-trioxabicyclo[3.3.0]oct-8-yl] [7-(1,2-dihydroxyethyl)-3,3-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) 0.44 -3.97 -8.6 2 7 0 94 290.312 6 ↓

    Analogs

    5781674
    5781674
    5781676
    5781676
    5781654
    5781654
    5781656
    5781656

    Draw Identity 99% 90% 80% 70%

    Popular Name: [7-(1,2-dihydroxyethyl)-3,3-dimethyl-2,4,6-trioxabicyclo[3.3.0]oct-8-yl] [7-(1,2-dihydroxyethyl)-3,3-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) 0.44 -4.6 -9.05 2 7 0 94 290.312 6 ↓

    Analogs

    5781654
    5781654
    5781656
    5781656

    Draw Identity 99% 90% 80% 70%

    Popular Name: [7-(1,2-dihydroxyethyl)-3,3-dimethyl-2,4,6-trioxabicyclo[3.3.0]oct-8-yl] [7-(1,2-dihydroxyethyl)-3,3-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) 0.44 -4.42 -10.14 2 7 0 94 290.312 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-N-(1,3-dioxolan-2-ylmethyl)cycloheptanecarboxamide N-(benzo[1,3]dioxol-5-ylmethyl)-…

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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 -0.73 -12.35 0 6 0 57 361.438 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-dioxolan-2-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]tetrahydrofuran-2-carboxamide N-(1,3-dioxolan-2-ylmethyl)-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) 1.20 0.27 -18.6 0 7 0 65 357.41 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-dioxolan-2-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]tetrahydrofuran-2-carboxamide N-(1,3-dioxolan-2-ylmethyl)-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) 1.20 -0.27 -13.62 0 7 0 65 357.41 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) 2.35 4.38 -9.85 0 5 0 56 311.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-N-(1,3-dioxolan-2-ylmethyl)-2-methylsulfonyl-acetamide N-(benzo[1,3]dioxol-5-ylmethyl)-…

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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) 0.16 -4.54 -23.31 0 8 0 91 357.384 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-5-oxo-tetrahydrofuran- N-[(2,2-dimethyl-1,3-dioxolan-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) -0.16 0.38 -30.5 1 7 0 80 390.411 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-5-oxo-tetrahydrofuran- N-[(2,2-dimethyl-1,3-dioxolan-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) -0.16 0.24 -24.73 1 7 0 80 390.411 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-5-oxo-tetrahydrofuran- N-[(2,2-dimethyl-1,3-dioxolan-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) -0.16 8.78 -26.91 1 7 0 81 390.411 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-5-oxo-tetrahydrofuran- N-[(2,2-dimethyl-1,3-dioxolan-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) -0.16 0.31 -17.57 1 7 0 80 390.411 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) 2.52 -1.28 -11.74 1 7 0 77 334.372 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [dihydroxy-(1-hydroxy-1-methyl-ethyl)-pentamethyl-BLAHyl] [dihydroxy-(1-hydroxy-1-methyl-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) 4.55 6.66 -8.76 3 7 0 105 546.745 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) 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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    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) 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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    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) 1.46 -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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    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) 1.46 -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

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1,3-dioxolan-2-yl)ethyl-fluoro-BLAH 2-(1,3-dioxolan-2-yl)ethyl-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) 2.87 8.26 -12.2 0 5 0 49 337.354 3 ↓

    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: (7R,8S)-7-(benzenesulfonyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(benzenesulfonyl)-1,4-…

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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) 0.21 2.09 -45.39 3 5 1 80 298.384 2 ↓
    Mid Mid (pH 6-8) 0.21 1.81 -10.32 2 5 0 79 297.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7S,8S)-7-(benzenesulfonyl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(benzenesulfonyl)-1,4-…

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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) 0.21 1.88 -46.62 3 5 1 80 298.384 2 ↓
    Mid Mid (pH 6-8) 0.21 1.52 -10.25 2 5 0 79 297.376 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7R,8R)-7-(benzenesulfonyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-(benzenesulfonyl)-1,4-…

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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) 0.21 1.81 -46.86 3 5 1 80 298.384 2 ↓
    Mid Mid (pH 6-8) 0.21 2.01 -11.22 2 5 0 79 297.376 2 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    Permalink

    //zinc12.docking.org/results/combination?ring.id=170&filter.purchasability=annotated

    Embed Link to Results

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