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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-tert-butyl-3-(4-methoxyphenyl)-2,4-dihydro-1,3-benzoxazine 6-tert-butyl-3-(4-methoxyphenyl)…

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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) 5.04 -0.7 -5.65 0 3 0 21 297.398 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-bromo-3-(3-chloro-4-methyl-phenyl)-2,4-dihydro-1,3-benzoxazine 6-bromo-3-(3-chloro-4-methyl-phe…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.13 -2.36 -3.47 0 2 0 12 338.632 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]acetamide N-[4-(6-tert-butyl-2,4-dihydro-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) 4.20 -1.83 -11.1 1 4 0 41 324.424 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(6-acetamido-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]acetamide N-[4-(6-acetamido-2,4-dihydro-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) 1.71 -3.99 -16.53 2 6 0 70 325.368 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-tert-butyl-3-p-phenetyl-2,4-dihydro-1,3-benzoxazine 6-tert-butyl-3-p-phenetyl-2,4-di…

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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) 5.41 -0.68 -5.51 0 3 0 21 311.425 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)benzoate 4-(6-tert-butyl-2,4-dihydro-1,3-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.89 -1.13 -50.19 0 4 -1 52 310.373 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-tert-butyl-3-(m-tolyl)-2,4-dihydro-1,3-benzoxazine 6-tert-butyl-3-(m-tolyl)-2,4-dih…

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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) 5.40 -0.28 -4.1 0 2 0 12 281.399 2 ↓

    Analogs

    5933882
    5933882

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(6-ethoxy-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]acetamide N-[4-(6-ethoxy-2,4-dihydro-1,3-b…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.92 -2.97 -11.91 1 5 0 50 312.369 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-chlorophenyl)-6-ethoxy-2,4-dihydro-1,3-benzoxazine 3-(4-chlorophenyl)-6-ethoxy-2,4-…

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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) 4.38 -1.99 -5.4 0 3 0 21 289.762 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(3-acetylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide N-[3-(3-acetylphenyl)-2,4-dihydr…

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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) 2.37 -2.52 -16.21 1 5 0 58 310.353 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(6-acetamido-2,4-dihydro-1,3-benzoxazin-3-yl)benzoate 3-(6-acetamido-2,4-dihydro-1,3-b…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.38 -3.4 -58.14 1 6 -1 81 311.317 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(6-bromo-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]acetamide N-[4-(6-bromo-2,4-dihydro-1,3-be…

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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) 3.30 -3.61 -9.49 1 4 0 41 347.212 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-tert-butyl-2-oxa-4-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl)acetamide N-(4-tert-butyl-2-oxa-4-azabicyc…

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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) 1.98 5.24 -33.48 2 4 1 43 249.334 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2,4-dihydro-1,3-benzoxazine 3-(1,3-benzodioxol-5-ylmethyl)-6…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.92 3.56 -9.57 0 5 0 40 299.326 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 6.21 9.64 -3.42 0 2 0 12 359.941 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.71 5.42 -6.59 0 3 0 22 289.762 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dimethyl-2,4-dihydro-1,3-benzoxazine 3-(1,3-benzodioxol-5-ylmethyl)-5…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.69 5.46 -9.34 0 4 0 31 297.354 2 ↓

    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) 3.09 4.19 -7.79 0 4 0 31 285.343 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(3-allyl-2,4-dihydro-1,3-benzoxazin-6-yl)ethyl]-4-chloro-benzamide N-[2-(3-allyl-2,4-dihydro-1,3-be…

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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) 3.89 6.7 -11.42 1 4 0 42 356.853 6 ↓

    Parameters Provided:

    ring.id = 221120
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 = 221120 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=221120&filter.purchasability=annotated

    Embed Link to Results

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