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

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-7-chloro-3-methyl-2-(5-nitro-2-furyl)-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-methyl-2-(5-nitr…

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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) 2.14 6.3 -16.73 1 7 0 91 307.693 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-7-chloro-3-methyl-2-(5-nitro-2-furyl)-1,2-dihydroquinazolin-4-one (2S)-7-chloro-3-methyl-2-(5-nitr…

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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) 2.14 6.29 -16.77 1 7 0 91 307.693 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-6-chloro-3-methyl-2-(5-nitro-2-furyl)-1,2-dihydroquinazolin-4-one (2R)-6-chloro-3-methyl-2-(5-nitr…

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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) 2.14 6.29 -20.12 1 7 0 91 307.693 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-6-chloro-3-methyl-2-(5-nitro-2-furyl)-1,2-dihydroquinazolin-4-one (2S)-6-chloro-3-methyl-2-(5-nitr…

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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) 2.14 6.29 -20.2 1 7 0 91 307.693 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-7-chloro-2-(5-nitro-2-furyl)-3-propyl-1,2-dihydroquinazolin-4-one (2R)-7-chloro-2-(5-nitro-2-furyl…

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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 8.03 -16.74 1 7 0 91 335.747 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-7-chloro-2-(5-nitro-2-furyl)-3-propyl-1,2-dihydroquinazolin-4-one (2S)-7-chloro-2-(5-nitro-2-furyl…

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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 7.93 -17.19 1 7 0 91 335.747 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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 6.7 -11.49 1 4 0 45 270.332 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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 6.68 -8.44 1 4 0 45 270.332 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.08 6.59 -11.38 1 4 0 45 256.305 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-3-(1-methylethyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.08 6.58 -11.36 1 4 0 45 256.305 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-propyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.73 6.87 -12.39 1 4 0 45 270.332 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-propyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.73 6.74 -9.4 1 4 0 45 270.332 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.22 6.13 -12.47 1 4 0 45 256.305 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    Popular Name:

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.22 5.99 -9.39 1 4 0 45 256.305 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2,3-dimethyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 1.85 5.15 -9.5 1 4 0 45 242.278 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2,3-dimethyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 1.85 5.2 -12.71 1 4 0 45 242.278 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-3-(3-methoxypropyl)-2-methyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.10 5.83 -10.62 1 5 0 55 300.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-3-(3-methoxypropyl)-2-methyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.10 5.96 -14.24 1 5 0 55 300.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(3-methoxypropyl)-2-(5-methyl-2-furanyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 1.88 6.63 -14.44 1 5 0 55 300.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-3-(3-methoxypropyl)-2-(5-methyl-2-furanyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 1.88 6.71 -13.53 1 5 0 55 300.358 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.66 5.88 -13.36 1 5 0 55 286.331 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

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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) 1.66 5.82 -14.17 1 5 0 55 286.331 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 3-butyl-2-(2-furanyl)-2,3-dihydro-2-methyl- 4(1H)-quinazolinone, 3-butyl-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) 3.29 7.65 -12.43 1 4 0 45 284.359 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 3-butyl-2-(2-furanyl)-2,3-dihydro-2-methyl- 4(1H)-quinazolinone, 3-butyl-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) 3.29 7.52 -9.29 1 4 0 45 284.359 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 3-butyl-2,3-dihydro-2-(5-methyl-2-furanyl)- 4(1H)-quinazolinone, 3-butyl-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) 3.06 8.42 -12.47 1 4 0 45 284.359 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 3-butyl-2,3-dihydro-2-(5-methyl-2-furanyl)- 4(1H)-quinazolinone, 3-butyl-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) 3.06 8.35 -12.48 1 4 0 45 284.359 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 3-butyl-2-(2-furanyl)-2,3-dihydro- 4(1H)-quinazolinone, 3-butyl-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 7.59 -12.2 1 4 0 45 270.332 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 3-butyl-2-(2-furanyl)-2,3-dihydro- 4(1H)-quinazolinone, 3-butyl-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 7.53 -12.22 1 4 0 45 270.332 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.08 3.27 -8.93 2 4 0 54 228.251 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.08 3.34 -10.56 2 4 0 54 228.251 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-3-(2-methoxyethyl)-2-methyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 1.83 5.41 -11.55 1 5 0 55 286.331 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-3-(2-methoxyethyl)-2-methyl- 4(1H)-quinazolinone, 2-(2-furany…

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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) 1.83 6.16 -14.51 1 5 0 55 286.331 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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) 3.06 7.41 -12.76 1 4 0 45 284.359 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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) 3.06 7.63 -11.33 1 4 0 45 284.359 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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) 3.06 7.58 -8.73 1 4 0 45 284.359 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-(1-methylpropyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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) 3.06 7.61 -8.17 1 4 0 45 284.359 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-(2-propenyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.49 6.54 -9.23 1 4 0 45 268.316 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4(1H)-quinazolinone, 2-(2-furanyl)-2,3-dihydro-2-methyl-3-(2-propenyl)- 4(1H)-quinazolinone, 2-(2-furany…

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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) 2.49 6.68 -11.94 1 4 0 45 268.316 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) 2.41 8.04 -15.37 1 6 0 72 348.786 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) 2.41 7.97 -15.64 1 6 0 72 348.786 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-6-chloro-3-ethyl-2-(5-methyl-2-furyl)-1,2-dihydroquinazolin-4-one (2R)-6-chloro-3-ethyl-2-(5-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) 2.65 7.38 -12.91 1 4 0 45 290.75 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-6-chloro-3-ethyl-2-(5-methyl-2-furyl)-1,2-dihydroquinazolin-4-one (2S)-6-chloro-3-ethyl-2-(5-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) 2.65 7.34 -13.01 1 4 0 45 290.75 2 ↓

    Analogs

    41863702
    41863702

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(2-furyl)-3-isobutyl-1,2-dihydroquinazolin-4-one (2R)-2-(2-furyl)-3-isobutyl-1,2-…

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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) 2.52 7.15 -12.06 1 4 0 45 270.332 3 ↓

    Analogs

    41863701
    41863701

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(2-furyl)-3-isobutyl-1,2-dihydroquinazolin-4-one (2S)-2-(2-furyl)-3-isobutyl-1,2-…

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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) 2.52 7.4 -11.62 1 4 0 45 270.332 3 ↓

    Analogs

    41863773
    41863773

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[5-(difluoromethylsulfanylmethyl)-2-furyl]-1-methyl-2,3-dihydroquinazolin-4-one (2S)-2-[5-(difluoromethylsulfany…

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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 7.14 -11.52 1 4 0 45 324.352 4 ↓

    Analogs

    41863772
    41863772

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[5-(difluoromethylsulfanylmethyl)-2-furyl]-1-methyl-2,3-dihydroquinazolin-4-one (2R)-2-[5-(difluoromethylsulfany…

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    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.16 7.14 -11.96 1 4 0 45 324.352 4 ↓

    Parameters Provided:

    ring.id = 126841
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 = 126841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=126841&filter.purchasability=annotated

    Embed Link to Results

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