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

    Analogs

    8741429
    8741429
    8741430
    8741430

    Draw Identity 99% 90% 80% 70%

    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) 3.47 9.91 -40.06 4 6 1 77 322.392 4
    Mid Mid (pH 6-8) 3.34 9.46 -17.24 3 6 0 77 321.384 4
    Mid Mid (pH 6-8) 3.34 9.96 -37.99 4 6 1 79 322.392 4

    Analogs

    8741429
    8741429
    8741430
    8741430

    Draw Identity 99% 90% 80% 70%

    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) 3.47 9.9 -40.04 4 6 1 77 322.392 4
    Mid Mid (pH 6-8) 3.34 9.45 -17.2 3 6 0 77 321.384 4

    Analogs

    9013899
    9013899

    Draw Identity 99% 90% 80% 70%

    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) 3.84 9.91 -41.39 4 5 1 67 333.202 1
    Mid Mid (pH 6-8) 3.71 9.47 -17.3 3 5 0 68 332.194 1

    Analogs

    9013899
    9013899

    Draw Identity 99% 90% 80% 70%

    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) 3.84 9.91 -41.38 4 5 1 67 333.202 1
    Mid Mid (pH 6-8) 3.71 9.47 -17.31 3 5 0 68 332.194 1

    Analogs

    12523706
    12523706

    Draw Identity 99% 90% 80% 70%


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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) 2.49 9.6 -49.92 4 8 1 113 309.309 2
    Mid Mid (pH 6-8) 2.36 9.17 -19.44 3 8 0 114 308.301 2

    Analogs

    12523706
    12523706

    Draw Identity 99% 90% 80% 70%


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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) 2.49 9.61 -50.02 4 8 1 113 309.309 2
    Mid Mid (pH 6-8) 2.36 9.17 -19.48 3 8 0 114 308.301 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.70 10.86 -47.55 4 8 1 113 345.289 2
    Mid Mid (pH 6-8) 2.57 9.18 -19.93 3 8 0 114 344.281 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.70 10.86 -47.6 4 8 1 113 345.289 2
    Mid Mid (pH 6-8) 2.57 9.28 -19.91 3 8 0 114 344.281 2

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.77 9.66 -43.4 4 6 1 77 318.36 3
    Mid Mid (pH 6-8) 2.64 9.2 -21.33 3 6 0 77 317.352 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.77 9.66 -43.35 4 6 1 77 318.36 3
    Mid Mid (pH 6-8) 2.64 9.71 -41.68 4 6 1 79 318.36 3
    Mid Mid (pH 6-8) 2.64 9.21 -21.31 3 6 0 77 317.352 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.23 11.15 -46.68 4 8 1 103 380.428 5
    Mid Mid (pH 6-8) 3.10 10.69 -21.93 3 8 0 104 379.42 5
    Mid Mid (pH 6-8) 3.10 11.19 -44.89 4 8 1 105 380.428 5

    Analogs

    8741429
    8741429
    8741430
    8741430

    Draw Identity 99% 90% 80% 70%

    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) 2.84 8.98 -41.88 4 7 1 86 352.418 6
    Mid Mid (pH 6-8) 2.71 9.03 -39.86 4 7 1 88 352.418 6
    Mid Mid (pH 6-8) 2.71 8.53 -18.78 3 7 0 87 351.41 6

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.76 9.44 -48 4 7 1 100 333.375 3
    Mid Mid (pH 6-8) 2.63 8.98 -24.57 3 7 0 101 332.367 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.76 9.44 -49.44 4 7 1 100 333.375 3
    Mid Mid (pH 6-8) 2.63 8.99 -22 3 7 0 101 332.367 3
    Mid Mid (pH 6-8) 2.63 9.48 -47.03 4 7 1 103 333.375 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.76 9.44 -47.57 4 7 1 100 333.375 3
    Mid Mid (pH 6-8) 2.63 8.98 -24.22 3 7 0 101 332.367 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 2.76 9.44 -48.84 4 7 1 100 333.375 3
    Mid Mid (pH 6-8) 2.63 8.99 -21.44 3 7 0 101 332.367 3
    Mid Mid (pH 6-8) 2.63 9.48 -46.45 4 7 1 103 333.375 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.33 9.47 -45.46 4 5 1 67 316.747 1
    Mid Mid (pH 6-8) 3.20 9.03 -17.81 3 5 0 68 315.739 1

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.78 9.02 -44.02 4 6 1 77 364.763 3
    Mid Mid (pH 6-8) 3.65 8.58 -20.19 3 6 0 77 363.755 3
    Mid Mid (pH 6-8) 3.65 9.09 -42.4 4 6 1 79 364.763 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.78 9.02 -44.06 4 6 1 77 364.763 3
    Mid Mid (pH 6-8) 3.65 8.58 -20.19 3 6 0 77 363.755 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.04 10.43 -42 4 6 1 77 332.387 4
    Mid Mid (pH 6-8) 2.91 10.48 -40.24 4 6 1 79 332.387 4
    Mid Mid (pH 6-8) 2.91 9.98 -19.58 3 6 0 77 331.379 4

    Parameters Provided:

    ring.id = 124029
    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 = 124029 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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