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

    12341575
    12341575
    12407818
    12407818
    13815136
    13815136
    16991360
    16991360

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Norbornene-2,3-dicarboximide 5-Norbornene-2,3-dicarboximide

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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) 0.60 1.86 -6.79 1 3 0 46 163.176 0 ↓

    Analogs

    5685986
    5685986
    5686240
    5686240
    15659515
    15659515
    15659517
    15659517
    34651174
    34651174

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-4-methyl-pentanoic 2-(dioxoBLAHyl)-4-methyl-pentanoic

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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) 0.27 1.9 -57.65 0 5 -1 77 276.312 4 ↓

    Analogs

    5752704
    5752704

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-chloro-4-(4-methylphenoxy)-phenyl]BLAHdione [3-chloro-4-(4-methylphenoxy)-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) 5.35 1.95 -8.31 0 4 0 46 379.843 3 ↓

    Analogs

    36798849
    36798849

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-N-(4-phenylthiazol-2-yl)-acetamide 2-(dioxoBLAHyl)-N-(4-phenylthiaz…

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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) 2.74 8.81 -15.42 1 6 0 79 379.441 4 ↓
    Hi High (pH 8-9.5) 2.56 7.27 -51.54 0 6 -1 86 378.433 4 ↓

    Analogs

    36798849
    36798849

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-N-(4-phenylthiazol-2-yl)-acetamide 2-(dioxoBLAHyl)-N-(4-phenylthiaz…

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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) 2.74 -0.87 -16.04 1 6 0 79 379.441 4 ↓
    Hi High (pH 8-9.5) 2.56 7.25 -49.33 0 6 -1 86 378.433 4 ↓

    Analogs

    28522112
    28522112

    Draw Identity 99% 90% 80% 70%

    Popular Name: O-[2-(dioxoBLAHyl)ethyl] O-[2-(dioxoBLAHyl)ethyl]

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.39 7.66 -13.99 1 5 0 59 376.865 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: O-[2-(dioxoBLAHyl)ethyl] O-[2-(dioxoBLAHyl)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) 2.67 7.81 -17.43 1 8 0 104 387.417 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)acetamide 2-(dioxoBLAHyl)-N-(2-methoxyethy…

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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) 1.47 8.33 -16.64 0 6 0 67 374.462 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)acetamide 2-(dioxoBLAHyl)-N-(2-methoxyethy…

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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) 1.47 8.38 -16.25 0 6 0 67 374.462 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantylmethyl)-2-(dioxoBLAHyl)-N-methyl-acetamide N-(1-adamantylmethyl)-2-(dioxoBL…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.13 10.66 -13.85 0 5 0 58 382.504 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-hydroxyethoxy)ethylBLAHdione 2-(2-hydroxyethoxy)ethylBLAHdione

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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) 0.10 1.95 -10.28 1 5 0 67 251.282 5 ↓

    Analogs

    36728662
    36728662

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-(dioxoBLAHyl)acetyl]-methyl-amino]acetamide N-[4-chloro-3-(trifluoromethyl)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) 2.86 8.92 -19.45 1 7 0 87 469.847 6 ↓

    Analogs

    4008900
    4008900

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-{4-nitrophenyl}-2-oxoethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate 2-{4-nitrophenyl}-2-oxoethyl (3,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.81 10.99 -15.31 0 9 0 127 384.344 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-bromophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-methylbutanoate 2-(4-bromophenyl)-2-oxoethyl 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) 3.77 13.28 -11.29 0 6 0 81 460.324 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-bromophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-methylbutanoate 2-(4-bromophenyl)-2-oxoethyl 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) 3.77 13.56 -11.31 0 6 0 81 460.324 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(4-fluorophenyl)-2-oxo-ethyl] [2-(4-fluorophenyl)-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) 3.81 15.21 -13.17 0 6 0 81 447.462 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] [2-(3-methoxyphenyl)-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) 3.67 14.58 -15.9 0 7 0 90 459.498 9 ↓

    Analogs

    16034770
    16034770
    15239904
    15239904
    15239907
    15239907

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-(dioxoBLAHyl)benzamide N-[(5R)-3-cyano-5-methyl-4,5,6,7…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.30 12.43 -12.17 1 6 0 90 457.555 3 ↓

    Analogs

    25501554
    25501554
    4134930
    4134930

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(dioxoBLAHyl)-3-nitro-benzamide N-(dioxoBLAHyl)-3-nitro-benzamide

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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) 0.56 6.74 -20.67 1 8 0 112 327.296 3 ↓
    Hi High (pH 8-9.5) 1.64 5.14 -57.06 0 8 -1 119 326.288 3 ↓

    Analogs

    8432844
    8432844

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-fluorophenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate 2-(4-fluorophenyl)-2-oxoethyl 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) 4.15 13.39 -15.66 0 6 0 81 419.408 6 ↓

    Analogs

    6668269
    6668269

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.98 8.78 -12.39 0 6 0 67 352.39 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(4-bromo-3-chloro-phenyl)-2-(dioxoBLAHyl)-3-phenyl-propanamide (2R)-N-(4-bromo-3-chloro-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) 4.85 13.28 -15.69 1 5 0 66 499.792 5 ↓

    Analogs

    4482299
    4482299

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-methoxy-2-nitro-phenyl)BLAHdione (4-methoxy-2-nitro-phenyl)BLAHdione

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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) 2.48 8.07 -13.76 0 7 0 92 314.297 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) 3.98 13.73 -15.43 1 7 0 93 458.514 8 ↓

    Analogs

    4139576
    4139576

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-nitro-4-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]BLAHdione [3-nitro-4-[[(3S)-2-oxoazepan-3-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.95 7.63 -20.72 2 9 0 124 410.43 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoic acid 3-(3,5-Dioxo-4-azatricyclo[5.2.1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.42 8.06 -63.64 0 5 -1 78 282.275 2 ↓

    Analogs

    17008619
    17008619

    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) 3.84 9.73 -10.75 0 3 0 37 281.355 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]BLAHdione [1-[(4-fluorophenyl)methyl]-3,5-…

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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) 3.12 10.09 -15.48 0 5 0 55 365.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-(o-tolylmethyl)pyrazol-3-yl]BLAHdione [1-(o-tolylmethyl)pyrazol-3-yl]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) 3.11 10.79 -16.59 0 5 0 55 333.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]BLAHdione [1-[(3,4-dichlorophenyl)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) 4.24 10.99 -16 0 5 0 55 416.308 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]BLAHdione [1-[(2,4-dichlorophenyl)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) 4.24 10.97 -15.54 0 5 0 55 416.308 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]BLAHdione [1-[(4-bromophenyl)methyl]-3,5-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) 3.76 10.65 -14.85 0 5 0 55 426.314 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]BLAHdione [3,5-dimethyl-1-(p-tolylmethyl)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) 3.40 10.72 -15.76 0 5 0 55 361.445 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(trifluoromethyl)phenyl]BLAHdione [4-(trifluoromethyl)phenyl]BLAHd…

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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) 3.43 8.51 -9.81 0 3 0 37 307.271 2 ↓

    Analogs

    16552510
    16552510

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N-(3-pyridyl)propanamide 3-(dioxoBLAHyl)-N-(3-pyridyl)pro…

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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) 0.84 5.34 -15 1 6 0 79 311.341 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N-(9-oxofluoren-2-yl)propanamide 3-(dioxoBLAHyl)-N-(9-oxofluoren-…

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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) 3.18 10.28 -25.7 1 6 0 84 412.445 4 ↓

    Analogs

    16576664
    16576664

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N-(1,3,4-thiadiazol-2-yl)propanamide 3-(dioxoBLAHyl)-N-(1,3,4-thiadia…

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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) 0.63 4.53 -22.88 1 7 0 92 318.358 4 ↓
    Hi High (pH 8-9.5) 0.82 3.29 -53.95 0 7 -1 99 317.35 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide 3-(dioxoBLAHyl)-N-(5-propyl-1,3,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.42 6.79 -22.02 1 7 0 92 360.439 6 ↓
    Hi High (pH 8-9.5) 1.61 5.56 -55.81 0 7 -1 99 359.431 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N-(4-phenylthiazol-2-yl)propanamide 3-(dioxoBLAHyl)-N-(4-phenylthiaz…

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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) 2.64 9.2 -15.81 1 6 0 79 393.468 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide 3-(dioxoBLAHyl)-N-[5-(trifluorom…

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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) 1.26 5.59 -18.57 1 7 0 92 386.355 5 ↓
    Hi High (pH 8-9.5) 1.44 4.36 -42.28 0 7 -1 99 385.347 5 ↓

    Analogs

    4124887
    4124887
    4124888
    4124888

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(dioxoBLAHyl)propanamide N-(5-tert-butyl-1,3,4-thiadiazol…

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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) 2.07 7.13 -22.07 1 7 0 92 374.466 5 ↓
    Hi High (pH 8-9.5) 2.25 5.88 -57.38 0 7 -1 99 373.458 5 ↓

    Analogs

    38712301
    38712301
    38712302
    38712302
    38712303
    38712303
    38712304
    38712304
    4120290
    4120290

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N,N-dimethyl-propanamide 3-(dioxoBLAHyl)-N,N-dimethyl-pro…

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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) 0.02 5.32 -14.44 0 5 0 58 262.309 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N-(2-methoxy-5-nitro-phenyl)propanamide 3-(dioxoBLAHyl)-N-(2-methoxy-5-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) 1.86 7.22 -20.42 1 9 0 122 385.376 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(dioxoBLAHyl)-N-(2-hydroxyphenyl)propanamide 3-(dioxoBLAHyl)-N-(2-hydroxyphen…

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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) 1.65 4.35 -14.54 2 6 0 87 326.352 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-N-(1-phenylcyclobutyl)acetamide 2-(dioxoBLAHyl)-N-(1-phenylcyclo…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.77 8.57 -14.66 1 5 0 66 350.418 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-N-(1-phenylcyclobutyl)acetamide 2-(dioxoBLAHyl)-N-(1-phenylcyclo…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.77 8.6 -14.48 1 5 0 66 350.418 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-N-methoxy-acetamide 2-(dioxoBLAHyl)-N-methoxy-acetamide

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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) -0.10 3.87 -17.97 1 6 0 76 250.254 3 ↓

    Analogs

    36157688
    36157688

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-6-fluoro-benzonitrile 2-(dioxoBLAHyl)-6-fluoro-benzoni…

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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) 2.36 8.11 -16.96 0 4 0 61 282.274 1 ↓

    Analogs

    36157685
    36157685

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(dioxoBLAHyl)-6-fluoro-benzonitrile 2-(dioxoBLAHyl)-6-fluoro-benzoni…

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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) 2.36 8.31 -13.32 0 4 0 61 282.274 1 ↓

    Analogs

    12628868
    12628868
    19810315
    19810315

    Draw Identity 99% 90% 80% 70%

    Popular Name: [[5-(morpholinomethyl)-2-furyl]methyleneamino]BLAHdione [[5-(morpholinomethyl)-2-furyl]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) 1.42 4.6 -16.97 0 7 0 75 355.394 4 ↓
    Mid Mid (pH 6-8) 1.42 6.86 -46.13 1 7 1 77 356.402 4 ↓

    Parameters Provided:

    ring.id = 365
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 = 365 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=365&filter.purchasability=annotated

    Embed Link to Results

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