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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: 2-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)thiazol-4-yl]acetic 2-[2-(4,5,6,7-tetrahydrobenzothi…

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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) 2.62 7.8 -52.32 1 5 -1 82 321.403 4 ↓
    Hi High (pH 8-9.5) 2.69 5.88 -114.63 0 5 -2 88 320.395 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[[(5R)-5-methyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiazol-4-yl]acetic 2-[2-[[(5R)-5-methyl4,5,6,7-tetr…

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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) 2.85 7.61 -53.71 1 5 -1 82 335.43 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[[(5S)-5-methyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiazol-4-yl]acetic 2-[2-[[(5S)-5-methyl4,5,6,7-tetr…

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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) 2.85 7.61 -53.76 1 5 -1 82 335.43 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[[(5R)-5-ethyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiazol-4-yl]acetic 2-[2-[[(5R)-5-ethyl4,5,6,7-tetra…

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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) 3.35 8.27 -53.7 1 5 -1 82 349.457 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[[(5S)-5-ethyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiazol-4-yl]acetic 2-[2-[[(5S)-5-ethyl4,5,6,7-tetra…

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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) 3.35 8.26 -53.71 1 5 -1 82 349.457 5 ↓

    Analogs

    16602574
    16602574
    16602576
    16602576

    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) 2.86 7.34 -16.47 1 5 0 62 349.481 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(chloromethyl)thiazol-2-yl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[4-(chloromethyl)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) 3.77 7.55 -7.81 1 3 0 42 312.847 3 ↓
    Hi High (pH 8-9.5) 3.84 5.88 -42.74 0 3 -1 48 311.839 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-acetylthiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-(4-acetylthiazol-2-yl)-4,5,6,7…

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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 6.97 -7.71 1 4 0 59 306.412 3 ↓
    Hi High (pH 8-9.5) 3.16 5.11 -38.76 0 4 -1 65 305.404 3 ↓

    Parameters Provided:

    ring.id = 134331
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 = 134331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=134331&filter.purchasability=annotated

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