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

    43174517
    43174517
    43174519
    43174519
    43705828
    43705828
    43705830
    43705830

    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) 3.29 -0.53 -7.21 1 4 0 41 282.771 1 ↓

    Analogs

    43174517
    43174517
    43174519
    43174519
    43705828
    43705828
    43705830
    43705830

    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) 3.29 -0.51 -7.26 1 4 0 41 282.771 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(dimethylcarbamoyl)phenyl]morpholine-4-carboxamide N-[2-(dimethylcarbamoyl)phenyl]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) 0.46 4.05 -12.49 1 6 0 62 277.324 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(2-methoxyphenyl)-2-methyl-morpholine-4-carboxamide (2R)-N-(2-methoxyphenyl)-2-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) 1.91 4.04 -8.84 1 5 0 51 250.298 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(2-methoxyphenyl)-2-methyl-morpholine-4-carboxamide (2S)-N-(2-methoxyphenyl)-2-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) 1.91 4.04 -8.83 1 5 0 51 250.298 2 ↓

    Analogs

    43706222
    43706222
    43706223
    43706223

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(2-bromo-4-fluoro-phenyl)-2-methyl-morpholine-4-carboxamide (2R)-N-(2-bromo-4-fluoro-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) 2.80 5.42 -5.79 1 4 0 42 317.158 1 ↓

    Analogs

    43706222
    43706222
    43706223
    43706223

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(2-bromo-4-fluoro-phenyl)-2-methyl-morpholine-4-carboxamide (2S)-N-(2-bromo-4-fluoro-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) 2.80 5.43 -5.8 1 4 0 42 317.158 1 ↓

    Analogs

    43706222
    43706222
    43706223
    43706223

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6R)-N-(2-bromo-4-fluoro-phenyl)-2,6-dimethyl-morpholine-4-carboxamide (2S,6R)-N-(2-bromo-4-fluoro-phen…

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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) 3.16 6.18 -5.52 1 4 0 42 331.185 1 ↓

    Analogs

    43706222
    43706222
    43706223
    43706223

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6S)-N-(2-bromo-4-fluoro-phenyl)-2,6-dimethyl-morpholine-4-carboxamide (2S,6S)-N-(2-bromo-4-fluoro-phen…

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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) 3.16 6.34 -5.33 1 4 0 42 331.185 1 ↓

    Analogs

    43706222
    43706222
    43706223
    43706223

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,6R)-N-(2-bromo-4-fluoro-phenyl)-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-(2-bromo-4-fluoro-phen…

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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) 3.16 6.36 -5.32 1 4 0 42 331.185 1 ↓

    Analogs

    36730127
    36730127

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromo-4-fluoro-phenyl)morpholine-4-carboxamide N-(2-bromo-4-fluoro-phenyl)morph…

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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) 2.44 4.69 -6.08 1 4 0 42 303.131 1 ↓

    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) 3.13 6.9 -9.35 1 6 0 68 346.305 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.13 6.97 -9.04 1 6 0 68 346.305 5 ↓

    Analogs

    42463240
    42463240
    42463241
    42463241

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3-dimethyl-N-phenyl-morpholine-4-carboxamide 3,3-dimethyl-N-phenyl-morpholine…

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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 5.13 -8.34 1 4 0 42 234.299 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chlorophenyl)-3,3-dimethyl-morpholine-4-carboxamide N-(4-chlorophenyl)-3,3-dimethyl-…

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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) 3.02 5.65 -7.85 1 4 0 42 268.744 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chlorophenyl)-3,3-dimethyl-morpholine-4-carboxamide N-(3-chlorophenyl)-3,3-dimethyl-…

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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 5.65 -7.02 1 4 0 42 268.744 1 ↓

    Analogs

    42793193
    42793193
    42793198
    42793198

    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) 1.97 4.93 -10.89 1 6 0 68 298.726 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,6R)-N-(2-chloro-4-methoxy-phenyl)-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-(2-chloro-4-methoxy-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) 2.92 5.44 -6.83 1 5 0 51 298.77 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-4-methoxy-phenyl)morpholine-4-carboxamide N-(2-chloro-4-methoxy-phenyl)mor…

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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) 2.20 3.79 -7.42 1 5 0 51 270.716 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-4-methoxy-phenyl)-2,2-dimethyl-morpholine-4-carboxamide N-(2-chloro-4-methoxy-phenyl)-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) 3.01 5.34 -6.98 1 5 0 51 298.77 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2-methylpropanoylamino)phenyl]morpholine-4-carboxamide N-[4-(2-methylpropanoylamino)phe…

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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) 1.84 4.27 -17.05 2 6 0 71 291.351 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]morpholine-4-carboxamide N-[3,5-bis(trifluoromethyl)pheny…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.25 5.89 -9.07 1 4 0 42 342.239 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6R)-N-[2-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6R)-N-[2-[2-(dimethylamino)-…

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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) 1.30 6.41 -17.4 1 6 0 62 319.405 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6S)-N-[2-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6S)-N-[2-[2-(dimethylamino)-…

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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) 1.30 6.57 -17.08 1 6 0 62 319.405 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,6R)-N-[2-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-[2-[2-(dimethylamino)-…

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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) 1.30 6.6 -17.02 1 6 0 62 319.405 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6R)-N-(2-butoxyphenyl)-2,6-dimethyl-morpholine-4-carboxamide (2S,6R)-N-(2-butoxyphenyl)-2,6-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) 3.71 7.31 -7.98 1 5 0 51 306.406 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,6R)-N-(2-butoxyphenyl)-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-(2-butoxyphenyl)-2,6-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) 3.71 7.49 -8.03 1 5 0 51 306.406 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6S)-N-(2-butoxyphenyl)-2,6-dimethyl-morpholine-4-carboxamide (2S,6S)-N-(2-butoxyphenyl)-2,6-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) 3.71 7.49 -7.72 1 5 0 51 306.406 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6R)-N-(3-allyloxyphenyl)-2,6-dimethyl-morpholine-4-carboxamide (2S,6R)-N-(3-allyloxyphenyl)-2,6…

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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) 2.94 6.15 -8.95 1 5 0 51 290.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,6S)-N-(3-allyloxyphenyl)-2,6-dimethyl-morpholine-4-carboxamide (2S,6S)-N-(3-allyloxyphenyl)-2,6…

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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) 2.94 6.32 -8.77 1 5 0 51 290.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,6R)-N-(3-allyloxyphenyl)-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-(3-allyloxyphenyl)-2,6…

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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) 2.94 6.32 -8.8 1 5 0 51 290.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-ethyl-N-[2-(methoxymethyl)phenyl]morpholine-4-carboxamide (2R)-2-ethyl-N-[2-(methoxymethyl…

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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) 2.31 5.47 -9.09 1 5 0 51 278.352 4 ↓

    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) 2.52 6.05 -12.7 1 6 0 68 292.335 3 ↓

    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) 2.57 6.06 -12.81 1 6 0 68 292.335 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.37 8.24 -12.62 1 6 0 68 332.4 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carboxamide N-[4-[2,2,2-trifluoro-1-hydroxy-…

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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 3.24 -9.73 2 5 0 62 372.265 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carboxamide N-methyl-N-[4-[2,2,2-trifluoro-1…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 321 0.35 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 321 0.35 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 321 0.35 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.03 4.09 -13.48 1 5 0 53 386.292 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carboxamide N-ethyl-N-[4-[2,2,2-trifluoro-1-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 74 0.37 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 74 0.37 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 74 0.37 Binding ≤ 10μM

    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 4.55 -10.29 1 5 0 53 400.319 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-propyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carboxamide N-propyl-N-[4-[2,2,2-trifluoro-1…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 34 0.37 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 34 0.37 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 34 0.37 Binding ≤ 10μM

    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) 3.91 5.32 -12.25 1 5 0 53 414.346 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-butyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carboxamide N-butyl-N-[4-[2,2,2-trifluoro-1-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.36 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 30 0.36 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 30 0.36 Binding ≤ 10μM

    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) 4.47 6.05 -12.08 1 5 0 53 428.373 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-pentyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carboxamide N-pentyl-N-[4-[2,2,2-trifluoro-1…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 19 0.36 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 19 0.36 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 19 0.36 Binding ≤ 10μM

    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 6.88 -12.15 1 5 0 53 442.4 8 ↓

    Analogs

    36184776
    36184776
    36184777
    36184777

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-hexyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carboxamide N-hexyl-N-[4-[2,2,2-trifluoro-1-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 31 0.34 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 31 0.34 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 31 0.34 Binding ≤ 10μM

    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) 5.48 7.66 -12.27 1 5 0 53 456.427 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-hydroxyethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carb N-(2-hydroxyethyl)-N-[4-[2,2,2-t…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 166 0.34 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 166 0.34 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 166 0.34 Binding ≤ 10μM

    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 1.59 -14.27 2 6 0 73 416.318 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.33 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 80 0.33 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 80 0.33 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.89 4.94 -15.43 1 7 0 79 444.328 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 99 0.32 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 99 0.32 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 99 0.32 Binding ≤ 10μM

    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) 2.85 5.33 -12.35 1 7 0 79 458.355 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[morpholine-4-carbonyl-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]propano 3-[morpholine-4-carbonyl-[4-[2,2…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 247 0.31 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 247 0.31 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 247 0.31 Binding ≤ 10μM

    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) 2.54 4.32 -41.99 1 7 -1 93 443.32 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 75 0.31 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 75 0.31 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 75 0.31 Binding ≤ 10μM

    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 6.13 -19.11 1 7 0 79 472.382 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyanopropyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]morpholine-4-carbo N-(3-cyanopropyl)-N-[4-[2,2,2-tr…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.35 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 40 0.35 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 40 0.35 Binding ≤ 10μM

    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) 2.76 5.84 -22.62 1 6 0 77 439.356 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 42 0.31 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 42 0.31 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 42 0.31 Binding ≤ 10μM

    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) 3.63 6.91 -16 1 7 0 79 486.409 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[morpholine-4-carbonyl-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]pentano 5-[morpholine-4-carbonyl-[4-[2,2…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.34 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 14 0.34 Binding ≤ 1μM
    DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 14 0.34 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.32 5.9 -49.1 1 7 -1 93 471.374 9 ↓

    Parameters Provided:

    ring.id = 3627
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 = 3627 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3627&filter.purchasability=annotated

    Embed Link to Results

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