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

    Analogs

    2776990
    2776990

    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) 0.86 1.55 -13.01 1 6 0 72 277.231 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(5-ethylsulfanyl-1,3,4-thiadi…

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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 3.15 -57.84 1 8 -1 113 312.356 5 ↓
    Mid Mid (pH 6-8) 0.90 2.08 -117.83 0 8 -2 119 311.348 5 ↓

    Analogs

    6725458
    6725458
    40803441
    40803441
    40803444
    40803444
    40803447
    40803447
    45079993
    45079993

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide 2,5-dimethyl-N-(1,3,4-thiadiazol…

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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) 0.45 0 -15.31 1 6 0 72 223.261 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-ethyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide 2-ethyl-N-[5-(ethylthio)-1,3,4-t…

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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) 1.71 4.73 -13.02 1 6 0 73 283.382 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-2-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide 4-bromo-2-ethyl-N-(1,3,4-thiadia…

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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) 1.35 -0.94 -14.11 1 6 0 72 302.157 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propyl-1H-pyrazole-5-carboxamide N-(5-methyl-1,3,4-thiadiazol-2-y…

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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 3.5 -14.71 2 6 0 84 251.315 4 ↓
    Hi High (pH 8-9.5) 1.24 1.61 -55.14 1 6 -1 90 250.307 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-3-methyl-1H-pyrazole-5-carboxamide 4-bromo-N-[5-(methanesulfonamido…

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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) 0.48 -0.3 -52.33 2 9 -1 132 380.229 4 ↓
    Ref Reference (pH 7) 0.55 -3.03 -43.4 2 9 -1 135 380.229 4 ↓
    Hi High (pH 8-9.5) 0.55 -2.16 -123.08 1 9 -2 138 379.221 4 ↓

    Parameters Provided:

    ring.id = 4295
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 = 4295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=4295&filter.purchasability=annotated

    Embed Link to Results

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