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

    Analogs

    1846476
    1846476

    Draw Identity 99% 90% 80% 70%

    Popular Name: USAN) USAN)

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.65 0.93 -17.65 4 6 0 101 337.788 2 ↓

    Analogs

    896838
    896838

    Draw Identity 99% 90% 80% 70%

    Popular Name: Quinethazone Quinethazone

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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) 0.93 -1.86 -16.82 4 6 0 101 289.744 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one 3-(4-fluorophenyl)-2-(2,3,4,5,6-…

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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) 5.01 4.53 -10.44 1 3 0 32 408.301 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one 3-(4-fluorophenyl)-2-(2,3,4,5,6-…

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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) 5.01 4.54 -10.44 1 3 0 32 408.301 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-hydroxyphenyl)-2-(4-methylsulfanylphenyl)-1,2-dihydroquinazolin-4-one 3-(4-hydroxyphenyl)-2-(4-methyls…

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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 8.58 -13.2 2 4 0 53 362.454 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-hydroxyphenyl)-2-(4-methylsulfanylphenyl)-1,2-dihydroquinazolin-4-one 3-(4-hydroxyphenyl)-2-(4-methyls…

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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 8.58 -13.75 2 4 0 53 362.454 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2-dimethyl-3-(p-tolyl)-1H-quinazolin-4-one 2,2-dimethyl-3-(p-tolyl)-1H-quin…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.87 0.21 -10.89 1 3 0 32 266.344 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-benzo[1,3]dioxol-5-yl-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-benzo[1,3]dioxol-5-yl-3-(4-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) 4.15 -3.69 -14.2 1 7 0 63 429.476 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-benzo[1,3]dioxol-5-yl-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-benzo[1,3]dioxol-5-yl-3-(4-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) 4.15 -3.69 -14.48 1 7 0 63 429.476 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-fluorophenyl)-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-(4-fluorophenyl)-3-(4-morpholi…

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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) 4.43 -2.11 -13.54 1 5 0 44 403.457 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-fluorophenyl)-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-(4-fluorophenyl)-3-(4-morpholi…

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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) 4.43 -2.12 -13.55 1 5 0 44 403.457 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chlorophenyl)-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-(4-chlorophenyl)-3-(4-morpholi…

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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) 4.94 -3 -12.88 1 5 0 44 419.912 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chlorophenyl)-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-(4-chlorophenyl)-3-(4-morpholi…

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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) 4.94 -3.01 -12.98 1 5 0 44 419.912 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide N-[4-[2-(3-chlorophenyl)-4-oxo-1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.19 -0.88 -23.18 2 5 0 61 391.858 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide N-[4-[2-(3-chlorophenyl)-4-oxo-1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.19 -0.89 -17.91 2 5 0 61 391.858 3 ↓

    Analogs

    709256
    709256

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-benzo[1,3]dioxol-5-yl-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one 2-benzo[1,3]dioxol-5-yl-3-[(4-me…

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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) 3.49 -1.31 -20.91 1 6 0 60 388.423 4 ↓

    Analogs

    709256
    709256

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-benzo[1,3]dioxol-5-yl-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one 2-benzo[1,3]dioxol-5-yl-3-[(4-me…

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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) 3.49 -0.58 -15.79 1 6 0 60 388.423 4 ↓

    Analogs

    15249078
    15249078
    15249081
    15249081
    8991265
    8991265
    8991266
    8991266

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(4-methoxyphenyl)methyl]-2-phenyl-1,2-dihydroquinazolin-4-one 3-[(4-methoxyphenyl)methyl]-2-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) 3.60 0.25 -12.03 1 4 0 41 344.414 4 ↓

    Analogs

    15249078
    15249078
    15249081
    15249081

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(4-methoxyphenyl)methyl]-2-phenyl-1,2-dihydroquinazolin-4-one 3-[(4-methoxyphenyl)methyl]-2-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) 3.60 0.25 -12.93 1 4 0 41 344.414 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl-(4-hydroxyphenyl)-BLAHone ethyl-(4-hydroxyphenyl)-BLAHone

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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) 4.68 -2.22 -10.07 2 4 0 52 336.435 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-[2-oxo-2-(prop-2-ynylamino) 4-[(3aS)-3a-methyl-1,5-dioxo-2,3…

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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) -0.64 5.17 -22.96 2 8 0 99 396.447 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-[2-oxo-2-(prop-2-ynylamino) 4-[(3aR)-3a-methyl-1,5-dioxo-2,3…

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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) -0.64 5.17 -23.14 2 8 0 99 396.447 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-chloro-2-hydroxy-3-methoxy-phenyl)-methyl-BLAHone (5-chloro-2-hydroxy-3-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) 2.32 5.33 -44.43 4 6 1 75 380.877 2 ↓
    Hi High (pH 8-9.5) 2.32 3.67 -50.46 2 6 -1 77 378.861 2 ↓
    Mid Mid (pH 6-8) 2.32 2.87 -15.71 3 6 0 74 379.869 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-chloro-2-hydroxy-3-methoxy-phenyl)-methyl-BLAHone (5-chloro-2-hydroxy-3-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) 2.32 5.33 -44.58 4 6 1 75 380.877 2 ↓
    Hi High (pH 8-9.5) 2.32 3.68 -50.06 2 6 -1 77 378.861 2 ↓
    Mid Mid (pH 6-8) 2.32 2.89 -15.7 3 6 0 74 379.869 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-chloro-4-methoxy-phenyl)-methyl-BLAHone (3-chloro-4-methoxy-phenyl)-meth…

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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) 2.81 6.94 -44.59 3 5 1 55 364.878 2 ↓
    Mid Mid (pH 6-8) 2.81 4.49 -15.92 2 5 0 54 363.87 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-chloro-4-methoxy-phenyl)-methyl-BLAHone (3-chloro-4-methoxy-phenyl)-meth…

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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) 2.81 6.92 -44.89 3 5 1 55 364.878 2 ↓
    Mid Mid (pH 6-8) 2.81 4.47 -15.97 2 5 0 54 363.87 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-hydroxy-3-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one 2-(2-hydroxy-3-methoxyphenyl)-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) 1.69 4.81 -45.33 4 6 1 75 346.432 2 ↓
    Hi High (pH 8-9.5) 1.69 3.15 -55.54 2 6 -1 77 344.416 2 ↓
    Mid Mid (pH 6-8) 1.69 2.35 -16.51 3 6 0 74 345.424 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-hydroxy-3-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one 2-(2-hydroxy-3-methoxyphenyl)-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) 1.69 4.81 -45.54 4 6 1 75 346.432 2 ↓
    Hi High (pH 8-9.5) 1.69 3.16 -55.19 2 6 -1 77 344.416 2 ↓
    Mid Mid (pH 6-8) 1.69 2.37 -16.52 3 6 0 74 345.424 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3,5-dibromo-2-methoxy-phenyl)-methyl-BLAHone (3,5-dibromo-2-methoxy-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) 3.67 8.28 -44.91 3 5 1 55 488.225 2 ↓
    Mid Mid (pH 6-8) 3.67 5.82 -16.17 2 5 0 54 487.217 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3,5-dibromo-2-methoxy-phenyl)-methyl-BLAHone (3,5-dibromo-2-methoxy-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) 3.67 8.31 -45.43 3 5 1 55 488.225 2 ↓
    Mid Mid (pH 6-8) 3.67 5.86 -16.18 2 5 0 54 487.217 2 ↓

    Analogs

    2785203
    2785203
    2785205
    2785205

    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) 3.65 9.82 -48.26 3 8 1 105 425.49 3 ↓
    Mid Mid (pH 6-8) 3.65 7.37 -17.63 2 8 0 103 424.482 3 ↓

    Analogs

    2785203
    2785203
    2785205
    2785205

    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) 3.65 9.82 -48.78 3 8 1 105 425.49 3 ↓
    Mid Mid (pH 6-8) 3.65 7.36 -17.45 2 8 0 103 424.482 3 ↓

    Analogs

    4172286
    4172286

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-isopropylphenyl)-methyl-BLAHone (4-isopropylphenyl)-methyl-BLAHone

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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) 3.65 9.02 -42.96 3 4 1 46 342.488 2 ↓
    Mid Mid (pH 6-8) 3.65 6.56 -14.11 2 4 0 44 341.48 2 ↓

    Analogs

    4172286
    4172286

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-isopropylphenyl)-methyl-BLAHone (4-isopropylphenyl)-methyl-BLAHone

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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) 3.65 9.01 -43.19 3 4 1 46 342.488 2 ↓
    Mid Mid (pH 6-8) 3.65 6.55 -14.05 2 4 0 44 341.48 2 ↓

    Analogs

    11535882
    11535882
    196092
    196092

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-pyridyl)-1,2,3-trihydroquinazolin-4-one, 95% 2-(3-pyridyl)-1,2,3-trihydroquin…

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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) 1.13 3.59 -11.8 2 4 0 54 225.251 1 ↓

    Analogs

    196092
    196092

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-pyridyl)-1,2,3-trihydroquinazolin-4-one, 95% 2-(3-pyridyl)-1,2,3-trihydroquin…

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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) 1.13 3.58 -11.79 2 4 0 54 225.251 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)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) 2.66 12.46 -19.69 0 9 0 113 437.452 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)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) 2.66 12.5 -19.19 0 9 0 113 437.452 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) 2.42 12.45 -17.96 0 7 0 84 438.455 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) 2.42 12.35 -18.72 0 7 0 84 438.455 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] [2-(5-chloro-2-thienyl)-2-oxo-et…

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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) 2.96 12.04 -16.52 0 7 0 84 460.939 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] [2-(5-chloro-2-thienyl)-2-oxo-et…

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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) 2.96 12.01 -17.04 0 7 0 84 460.939 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-phenyloxazol-2-yl)methyl (5-phenyloxazol-2-yl)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) 3.15 10.27 -18.09 0 8 0 93 459.502 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-phenyloxazol-2-yl)methyl (5-phenyloxazol-2-yl)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) 3.15 10.27 -18.49 0 8 0 93 459.502 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-(2-oxo-3H-benzimidazol-1-yl)pr…

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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) 2.21 11.62 -21.12 1 9 0 105 476.533 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-(2-oxo-3H-benzimidazol-1-yl)pr…

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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) 2.21 11.7 -20.97 1 9 0 105 476.533 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1'-(2-isobutyl-3-oxo-isoindoline-4-carbonyl)-1-methyl-spiro[3H-pyrido[3,2-e]pyrimidine-2,4'-piperidi 1'-(2-isobutyl-3-oxo-isoindoline…

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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) 1.29 8.18 -25.04 1 8 0 86 447.539 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1'-(2-isobutylquinoline-4-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one 1'-(2-isobutylquinoline-4-carbon…

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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 8.76 -18.21 2 6 0 74 428.536 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1'-[5-[(diisopropylamino)methyl]furan-2-carbonyl]-1-methyl-spiro[3H-pyrido[3,2-e]pyrimidine-2,4'-pip 1'-[5-[(diisopropylamino)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) 2.30 7.61 -49.96 2 8 1 83 440.568 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-6-chloro-1'-[2-(4-isopropylpiperazin-1-yl)-2-oxo-ethyl]spiro[1,3-dihydroquinazoline-2,5'-azepan (2R)-6-chloro-1'-[2-(4-isopropyl…

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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) 1.44 5.28 -22.93 2 8 0 85 447.967 3 ↓
    Mid Mid (pH 6-8) 1.44 7.47 -57.01 3 8 1 86 448.975 3 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=234&filter.purchasability=annotated

    Embed Link to Results

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