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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: N-[4-[4-(1-acetylaminoethyl)phenyl]thiazol-2-yl]-4-(3-methylphenoxy)-butanamide N-[4-[4-(1-acetylaminoethyl)phen…

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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 -1.37 -19.81 2 6 0 80 437.565 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[4-(1-acetylaminoethyl)phenyl]thiazol-2-yl]-4-(3-methylphenoxy)-butanamide N-[4-[4-(1-acetylaminoethyl)phen…

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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 -1.37 -19.79 2 6 0 80 437.565 9 ↓

    Analogs

    2609780
    2609780
    40865237
    40865237
    40912493
    40912493

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2,3-dimethylphenoxy)-N-(4-phenylthiazol-2-yl)butyramide 4-(2,3-dimethylphenoxy)-N-(4-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) 4.87 0.09 -13.92 1 4 0 51 366.486 7 ↓

    Analogs

    2609632
    2609632
    40865438
    40865438

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-4-(2,3-dimethylphenoxy)butyramide N-[4-(4-bromophenyl)thiazol-2-yl…

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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) 5.68 11.73 -14.86 1 4 0 51 445.382 7 ↓

    Analogs

    2609790
    2609790
    5753153
    5753153
    6397886
    6397886
    33717164
    33717164
    40912645
    40912645

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)butyramide 4-(4-chloro-3,5-dimethyl-phenoxy…

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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) 5.72 -0.18 -14.46 1 4 0 51 414.958 7 ↓

    Analogs

    2609440
    2609440
    40912702
    40912702

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-chloro-3-methyl-phenoxy)-N-[4-(3-nitrophenyl)thiazol-2-yl]butyramide 4-(4-chloro-3-methyl-phenoxy)-N-…

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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) 5.06 11.45 -18.83 1 7 0 97 431.901 8 ↓

    Analogs

    2609378
    2609378
    2609384
    2609384
    2609385
    2609385
    2609389
    2609389
    2609436
    2609436

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-p-phenetylthiazol-2-yl)-4-(4-propylphenoxy)butyramide N-(4-p-phenetylthiazol-2-yl)-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) 5.80 0.09 -14.39 1 5 0 60 424.566 11 ↓

    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) 5.12 -0.28 -13.7 1 4 0 51 386.904 7 ↓

    Analogs

    6341772
    6341772

    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) 5.57 0.04 -13.63 1 4 0 51 400.931 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    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) 5.80 11.47 -13.03 1 4 0 51 421.349 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    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) 5.93 11.58 -12.98 1 4 0 51 465.8 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[4-(acetamidomethyl)phenyl]thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide N-[4-[4-(acetamidomethyl)phenyl]…

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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) 3.04 7.99 -20.01 2 7 0 90 439.537 10 ↓

    Parameters Provided:

    ring.id = 74002
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 = 74002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=74002&filter.purchasability=annotated

    Embed Link to Results

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