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

    36720663
    36720663

    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) 4.33 8.14 -11.69 2 3 0 41 286.35 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) 4.02 -1.21 -9.49 2 3 0 41 292.741 4 ↓

    Analogs

    35115230
    35115230
    35115232
    35115232

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(p-tolyl)urea 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.78 2.1 -10.96 5 5 0 87 285.347 4 ↓

    Analogs

    35115230
    35115230
    35115232
    35115232

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(p-tolyl)urea 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.78 2 -11.1 5 5 0 87 285.347 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(4-chlorophenyl)urea 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 2.01 1.88 -10.39 5 5 0 87 305.765 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(4-chlorophenyl)urea 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 2.01 1.97 -10.28 5 5 0 87 305.765 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(m-tolyl)urea 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.76 2.1 -11.08 5 5 0 87 285.347 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(m-tolyl)urea 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.76 2 -11.21 5 5 0 87 285.347 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(4-fluorophenyl)urea 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.50 1.42 -10.92 5 5 0 87 289.31 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(4-fluorophenyl)urea 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.50 1.52 -10.81 5 5 0 87 289.31 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(2-fluorophenyl)urea 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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 1.55 -9.47 5 5 0 87 289.31 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(2-fluorophenyl)urea 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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 1.46 -9.61 5 5 0 87 289.31 4 ↓

    Analogs

    35115230
    35115230
    35115232
    35115232

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-phenyl-urea 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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 1.42 -10.9 5 5 0 87 271.32 4 ↓

    Analogs

    35115230
    35115230
    35115232
    35115232

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-phenyl-urea 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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 1.32 -11.01 5 5 0 87 271.32 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(3-chlorophenyl)urea 1-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.99 1.94 -9.56 5 5 0 87 305.765 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-3-(3-chlorophenyl)urea 1-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.99 1.84 -9.6 5 5 0 87 305.765 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-aminophenyl)-3-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]urea 1-(3-aminophenyl)-3-[(1S)-2-(4-f…

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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 5.63 -12.71 4 4 0 67 287.338 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-aminophenyl)-3-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]urea 1-(3-aminophenyl)-3-[(1R)-2-(4-f…

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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 5.59 -12.79 4 4 0 67 287.338 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-aminophenyl)-3-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]urea 1-(4-aminophenyl)-3-[(1S)-2-(4-f…

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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) 2.82 5.62 -12.91 4 4 0 67 287.338 4 ↓
    Lo Low (pH 4.5-6) 2.82 5.49 -50.71 5 4 1 69 288.346 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-aminophenyl)-3-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]urea 1-(4-aminophenyl)-3-[(1R)-2-(4-f…

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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) 2.82 5.62 -12.72 4 4 0 67 287.338 4 ↓
    Lo Low (pH 4.5-6) 2.82 5.49 -50.34 5 4 1 69 288.346 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-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) 3.97 8.28 -43.19 3 5 1 55 411.295 6 ↓
    Mid Mid (pH 6-8) 3.97 6.08 -6.95 2 5 0 54 410.287 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-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) 3.97 8.3 -41.27 3 5 1 55 411.295 6 ↓
    Mid Mid (pH 6-8) 3.97 5.6 -6.25 2 5 0 54 410.287 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[2-(2-fluorophenyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[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) 4.27 7.55 -8.61 2 3 0 41 355.182 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-phenethyl-urea 1-(2-bromo-4-fluoro-phenyl)-3-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) 4.15 7.51 -7.43 2 3 0 41 337.192 4 ↓

    Analogs

    43259546
    43259546

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.84 2.47 -16.19 4 6 0 101 416.272 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[2-(3-fluorophenyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[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) 4.29 7.57 -8.79 2 3 0 41 355.182 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[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) 3.80 6.69 -11.98 2 5 0 60 397.244 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[2-(4-fluorophenyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-3-[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) 4.31 7.57 -8.98 2 3 0 41 355.182 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3-aminophenyl)-1-[2-(2-fluorophenyl)ethyl]urea 3-(3-aminophenyl)-1-[2-(2-fluoro…

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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 4.52 -15.94 4 4 0 67 273.311 4 ↓

    Analogs

    14252448
    14252448

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2R)-2-(octadecylamino)-2-phenyl-ethyl]urea 1-(2,6-diisopropylphenyl)-3-[(2R…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 230 0.22 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 230 0.22 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 230 0.22 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) 9.68 23.2 -49.15 4 4 1 58 592.977 24 ↓
    Hi High (pH 8-9.5) 9.68 22.32 -7.73 3 4 0 53 591.969 24 ↓

    Analogs

    14252448
    14252448

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2S)-2-(octadecylamino)-2-phenyl-ethyl]urea 1-(2,6-diisopropylphenyl)-3-[(2S…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 230 0.22 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 230 0.22 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 230 0.22 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) 9.68 23.2 -49.3 4 4 1 58 592.977 24 ↓
    Hi High (pH 8-9.5) 9.68 22 -7.12 3 4 0 53 591.969 24 ↓

    Analogs

    14252448
    14252448

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2R)-2-(hexadecylamino)-2-phenyl-ethyl]urea 1-(2,6-diisopropylphenyl)-3-[(2R…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 120 0.24 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 120 0.24 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 120 0.24 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) 9.47 21.63 -49.17 4 4 1 58 564.923 22 ↓
    Hi High (pH 8-9.5) 9.47 20.76 -7.75 3 4 0 53 563.915 22 ↓

    Analogs

    14252448
    14252448

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2S)-2-(hexadecylamino)-2-phenyl-ethyl]urea 1-(2,6-diisopropylphenyl)-3-[(2S…

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 120 0.24 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 120 0.24 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 120 0.24 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) 9.47 21.63 -49.23 4 4 1 58 564.923 22 ↓
    Hi High (pH 8-9.5) 9.47 20.44 -7.13 3 4 0 53 563.915 22 ↓

    Analogs

    14252448
    14252448

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2R)-2-(decylamino)-2-phenyl-ethyl]-3-(2,6-diisopropylphenyl)urea 1-[(2R)-2-(decylamino)-2-phenyl-…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 83 0.28 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 83 0.28 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 83 0.28 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) 8.28 16.95 -49.36 4 4 1 58 480.761 16 ↓

    Analogs

    13737256
    13737256

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2S)-2-(decylamino)-2-phenyl-ethyl]-3-(2,6-diisopropylphenyl)urea 1-[(2S)-2-(decylamino)-2-phenyl-…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 83 0.28 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 83 0.28 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 83 0.28 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) 8.28 16.95 -49.39 4 4 1 58 480.761 16 ↓

    Analogs

    13737143
    13737143

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-3-[(2,6-diisopropylphenyl)carbamoylamino]-2-phenyl-propyl]dodecanamide N-[(2S)-3-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 79 0.25 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 79 0.25 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 79 0.25 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) 8.76 17.22 -14.6 3 5 0 70 535.817 18 ↓

    Analogs

    13737143
    13737143

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-3-[(2,6-diisopropylphenyl)carbamoylamino]-2-phenyl-propyl]dodecanamide N-[(2R)-3-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 79 0.25 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 79 0.25 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 79 0.25 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) 8.76 17.22 -14.64 3 5 0 70 535.817 18 ↓

    Analogs

    13737140
    13737140

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]hexadecanamide N-[(1R)-2-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 81 0.24 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 81 0.24 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 81 0.24 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) 9.30 20.37 -12.27 3 5 0 70 577.898 21 ↓

    Analogs

    13737140
    13737140

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]hexadecanamide N-[(1S)-2-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 81 0.24 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 81 0.24 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 81 0.24 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) 9.30 20.36 -12.28 3 5 0 70 577.898 21 ↓

    Analogs

    13737140
    13737140

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]dodecanamide N-[(1R)-2-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 77 0.26 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 77 0.26 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 77 0.26 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) 8.51 17.25 -12.4 3 5 0 70 521.79 17 ↓

    Analogs

    13737140
    13737140

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]dodecanamide N-[(1S)-2-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 77 0.26 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 77 0.26 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 77 0.26 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) 8.51 17.24 -12.35 3 5 0 70 521.79 17 ↓

    Analogs

    13737140
    13737140

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]decanamide N-[(1R)-2-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 590 0.24 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 590 0.24 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 590 0.24 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) 7.65 15.68 -12.38 3 5 0 70 493.736 15 ↓

    Analogs

    13737317
    13737317

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]decanamide N-[(1S)-2-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 590 0.24 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 590 0.24 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 590 0.24 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) 7.65 15.67 -12.41 3 5 0 70 493.736 15 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2S)-3-(dodecylamino)-2-phenyl-propyl]urea 1-(2,6-diisopropylphenyl)-3-[(2S…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 110 0.26 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 110 0.26 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 110 0.26 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) 8.90 18.85 -47.86 4 4 1 58 522.842 19 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2R)-3-(dodecylamino)-2-phenyl-propyl]urea 1-(2,6-diisopropylphenyl)-3-[(2R…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 110 0.26 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 110 0.26 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 110 0.26 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) 8.90 18.85 -47.91 4 4 1 58 522.842 19 ↓

    Analogs

    14252448
    14252448

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2R)-2-(heptylamino)-2-phenyl-ethyl]urea 1-(2,6-diisopropylphenyl)-3-[(2R…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 110 0.30 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 110 0.30 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 110 0.30 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) 6.81 14.6 -49.27 4 4 1 58 438.68 13 ↓

    Analogs

    14252448
    14252448

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,6-diisopropylphenyl)-3-[(2S)-2-(heptylamino)-2-phenyl-ethyl]urea 1-(2,6-diisopropylphenyl)-3-[(2S…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 110 0.30 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 110 0.30 Binding ≤ 1μM
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 110 0.30 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) 6.81 14.61 -49.38 4 4 1 58 438.68 13 ↓

    Analogs

    13737140
    13737140

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]octadecanamide N-[(1R)-2-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1700 0.18 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 1700 0.18 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) 9.54 21.93 -12.27 3 5 0 70 605.952 23 ↓

    Analogs

    13737140
    13737140

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]octadecanamide N-[(1S)-2-[(2,6-diisopropylpheny…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1700 0.18 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 1700 0.18 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) 9.54 21.92 -12.28 3 5 0 70 605.952 23 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]urea 1-(2-chloro-4-methoxy-phenyl)-3-…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.88 7.75 -48.32 3 5 1 55 366.844 6 ↓
    Mid Mid (pH 6-8) 3.88 5.22 -8.16 2 5 0 54 365.836 6 ↓

    Parameters Provided:

    ring.id = 3521
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 = 3521 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3521&filter.purchasability=annotated

    Embed Link to Results

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