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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: (1R)-2,2-dichloro-1-methyl-N-(5-methylthiazol-2-yl)cyclopropane-1-carboxamide (1R)-2,2-dichloro-1-methyl-N-(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) 2.21 6.06 -14.49 1 3 0 42 265.165 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-2,2-dichloro-1-methyl-N-(5-methylthiazol-2-yl)cyclopropane-1-carboxamide (1S)-2,2-dichloro-1-methyl-N-(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) 2.21 6.06 -14.51 1 3 0 42 265.165 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) 2.35 -0.53 -15.37 1 4 0 59 307.202 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) 2.35 -0.47 -14.87 1 4 0 59 307.202 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) 2.91 -0.94 -12.44 1 5 0 68 426.13 6 ↓

    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) 2.91 -0.94 -12.66 1 5 0 68 426.13 6 ↓

    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) 0.83 6.08 -21.93 1 8 0 114 285.281 6 ↓

    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) 0.83 5.11 -15.43 1 8 0 114 285.281 6 ↓

    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) 0.83 5.1 -15.89 1 8 0 114 285.281 6 ↓

    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) 0.83 6.08 -21.82 1 8 0 114 285.281 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-2-[(4-isopropylthiazol-2-yl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[(4-isopropylthiazol-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) 1.80 5.6 -52.33 1 5 -1 82 253.303 4 ↓
    Lo Low (pH 4.5-6) 1.80 3.66 -13.97 2 5 0 79 254.311 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-2-[(4-isopropylthiazol-2-yl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[(4-isopropylthiazol-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) 1.80 5.69 -46.18 1 5 -1 82 253.303 4 ↓
    Lo Low (pH 4.5-6) 1.80 3.69 -9.96 2 5 0 79 254.311 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-2-[(4-isopropylthiazol-2-yl)carbamoyl]cyclopropanecarboxylic (1R,2R)-2-[(4-isopropylthiazol-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) 1.80 5.69 -46.3 1 5 -1 82 253.303 4 ↓
    Lo Low (pH 4.5-6) 1.80 3.69 -9.96 2 5 0 79 254.311 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-2-[(4-isopropylthiazol-2-yl)carbamoyl]cyclopropanecarboxylic (1R,2S)-2-[(4-isopropylthiazol-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) 1.80 5.61 -52.6 1 5 -1 82 253.303 4 ↓
    Lo Low (pH 4.5-6) 1.80 3.66 -13.92 2 5 0 79 254.311 4 ↓

    Analogs

    41907517
    41907517
    41907520
    41907520

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-acetylthiazol-2-yl)cyclopropanecarboxamide N-(4-acetylthiazol-2-yl)cyclopro…

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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) 1.18 3.8 -8.61 1 4 0 59 210.258 3 ↓

    Analogs

    41907219
    41907219
    41907223
    41907223
    41907226
    41907226

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2R)-N-(4-acetylthiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(4-acetylthiazol-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) 1.79 4.61 -8.21 1 4 0 59 224.285 3 ↓

    Analogs

    41907223
    41907223
    41907226
    41907226
    41907216
    41907216

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,2S)-N-(4-acetylthiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(4-acetylthiazol-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) 1.79 4.56 -8.34 1 4 0 59 224.285 3 ↓

    Analogs

    41907226
    41907226
    41907216
    41907216
    41907219
    41907219

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2R)-N-(4-acetylthiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(4-acetylthiazol-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) 1.79 4.56 -8.33 1 4 0 59 224.285 3 ↓

    Analogs

    41907216
    41907216
    41907219
    41907219
    41907223
    41907223

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,2S)-N-(4-acetylthiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(4-acetylthiazol-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) 1.79 4.61 -8.22 1 4 0 59 224.285 3 ↓

    Parameters Provided:

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    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 = 105528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=105528&filter.purchasability=annotated

    Embed Link to Results

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