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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

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(2-hydroxy-1-naphthyl)methyleneamino]-N,N-dimethyl-benzenesulfonamide 3-[(2-hydroxy-1-naphthyl)methyle…

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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) 3.86 5.55 -13.04 1 5 0 70 354.431 4 ↓
    Hi High (pH 8-9.5) 3.86 6.27 -54.76 0 5 -1 73 353.423 4 ↓
    Lo Low (pH 4.5-6) 3.86 5.99 -38.57 2 5 1 72 355.439 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(2-hydroxy-1-naphthyl)methyleneamino]benzonitrile 4-[(2-hydroxy-1-naphthyl)methyle…

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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 7.14 -8.27 1 3 0 56 272.307 2 ↓
    Hi High (pH 8-9.5) 4.33 7.9 -36.31 0 3 -1 59 271.299 2 ↓
    Mid Mid (pH 6-8) 4.33 8.74 -44.55 0 3 -1 59 271.299 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(Z)-(4-fluorophenyl)iminomethyl]naphthalen-2-ol 1-[(Z)-(4-fluorophenyl)iminometh…

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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) 4.73 6.82 -6.86 1 2 0 33 265.287 2 ↓
    Hi High (pH 8-9.5) 4.73 8.4 -45.58 0 2 -1 35 264.279 2 ↓
    Hi High (pH 8-9.5) 4.73 7.59 -38.53 0 2 -1 35 264.279 2 ↓

    Analogs

    4582476
    4582476

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(Z)-(4-chlorophenyl)iminomethyl]naphthalen-2-ol 1-[(Z)-(4-chlorophenyl)iminometh…

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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) 5.25 7.27 -6.34 1 2 0 33 281.742 2 ↓
    Hi High (pH 8-9.5) 5.25 8.04 -38.48 0 2 -1 35 280.734 2 ↓
    Hi High (pH 8-9.5) 5.25 8.86 -45.82 0 2 -1 35 280.734 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(Z)-(4-bromophenyl)iminomethyl]naphthalen-2-ol 1-[(Z)-(4-bromophenyl)iminomethy…

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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) 5.38 8.18 -6.3 1 2 0 33 326.193 2 ↓
    Hi High (pH 8-9.5) 5.38 8.16 -38.51 0 2 -1 35 325.185 2 ↓
    Hi High (pH 8-9.5) 5.38 8.96 -45.68 0 2 -1 35 325.185 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(Z)-[4-(trifluoromethyl)phenyl]iminomethyl]naphthalen-2-ol 1-[(Z)-[4-(trifluoromethyl)pheny…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.46 7.75 -6.72 1 2 0 33 315.294 3 ↓
    Hi High (pH 8-9.5) 5.46 8.54 -37.55 0 2 -1 35 314.286 3 ↓
    Mid Mid (pH 6-8) 5.47 9.36 -44.64 0 2 -1 35 314.286 3 ↓

    Analogs

    2143364
    2143364
    2171043
    2171043

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1-naphthyl)-N-phenyl-methanimine 1-(1-naphthyl)-N-phenyl-methanimine

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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) 4.63 10.53 -7.13 0 1 0 12 231.298 2 ↓
    Lo Low (pH 4.5-6) 4.63 9.62 -32.2 1 1 1 14 232.306 2 ↓
    Lo Low (pH 4.5-6) 4.63 10.59 -27.74 1 1 1 14 232.306 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(Z)-(2-hydroxy-1-naphthyl)methyleneamino]phenyl]ethanesulfonamide N-[4-[(Z)-(2-hydroxy-1-naphthyl)…

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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) 4.18 4.01 -48.53 1 5 -1 81 353.423 5 ↓
    Hi High (pH 8-9.5) 4.18 6.02 -111.87 0 5 -2 84 352.415 5 ↓
    Hi High (pH 8-9.5) 4.18 5.2 -116.84 0 5 -2 84 352.415 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(Z)-(2-hydroxy-1-naphthyl)methyleneamino]-4-methoxy-N,N-dimethyl-benzamide 3-[(Z)-(2-hydroxy-1-naphthyl)met…

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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) 3.52 5.95 -16.47 1 5 0 62 348.402 4 ↓
    Hi High (pH 8-9.5) 3.52 7.56 -62.23 0 5 -1 65 347.394 4 ↓
    Hi High (pH 8-9.5) 3.52 6.71 -51.67 0 5 -1 65 347.394 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(Z)-[4-ethoxy-3-(hydroxymethyl)phenyl]iminomethyl]naphthalen-2-ol 1-[(Z)-[4-ethoxy-3-(hydroxymethy…

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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 5.33 -10.26 2 4 0 62 321.376 5 ↓
    Hi High (pH 8-9.5) 4.27 6.11 -55.15 1 4 -1 65 320.368 5 ↓
    Lo Low (pH 4.5-6) 4.27 4.53 -34.78 3 4 1 64 322.384 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.25 9.53 -13.07 1 4 0 59 319.36 5 ↓
    Hi High (pH 8-9.5) 5.25 10.31 -60.51 0 4 -1 62 318.352 5 ↓
    Mid Mid (pH 6-8) 5.25 9 -48.65 0 4 -1 62 318.352 5 ↓

    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) 4.60 2.3 -9.72 0 5 0 67 306.321 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) 4.52 6.92 -12.79 1 5 0 62 334.375 4 ↓
    Hi High (pH 8-9.5) 4.52 8.87 -52.6 0 5 -1 65 333.367 4 ↓
    Hi High (pH 8-9.5) 4.52 7.98 -50.09 0 5 -1 65 333.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-amino-N-phenyl-naphthalene-1-carboxamidine N'-amino-N-phenyl-naphthalene-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) 2.35 8.19 -6.87 3 3 0 50 261.328 3 ↓
    Mid Mid (pH 6-8) 3.19 8.86 -24.48 4 3 1 52 262.336 3 ↓

    Parameters Provided:

    ring.id = 116104
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 = 116104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=116104&filter.purchasability=annotated

    Embed Link to Results

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