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

    Analogs

    6278675
    6278675
    33745401
    33745401
    33825764
    33825764
    616902
    616902

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide N-[5-[(4-methoxyphenyl)methyl]-1…

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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) 3.23 8.69 -25.58 1 8 0 110 370.39 6 ↓
    Mid Mid (pH 6-8) 3.30 7.04 -52.48 0 8 -1 116 369.382 6 ↓

    Analogs

    6278675
    6278675

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide N-[5-[(3,4-dimethoxyphenyl)methy…

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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) 2.82 8.58 -28.23 1 9 0 119 400.416 7 ↓

    Analogs

    33825764
    33825764
    616902
    616902
    6500396
    6500396

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylamino-5-nitro-benzamide N-(5-benzyl-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) 2.98 8.54 -14.76 2 8 0 113 369.406 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-4,5-dimethoxy-benzamide N-(5-benzyl-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) 3.69 8.56 -14.95 1 6 0 73 389.864 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonyl-benzamide N-(5-benzyl-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) 2.08 6.18 -28.48 1 6 0 89 373.459 5 ↓
    Hi High (pH 8-9.5) 2.15 5.29 -55.27 0 6 -1 95 372.451 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-methylsulfonyl-benzamide N-(5-benzyl-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) 2.48 6.91 -20.7 1 6 0 89 387.486 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonyl-benzamide N-(5-benzyl-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) 2.11 6.19 -25.78 1 6 0 89 373.459 5 ↓
    Hi High (pH 8-9.5) 2.17 5.3 -52.42 0 6 -1 95 372.451 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-iodo-benzamide N-(5-benzyl-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) 4.32 9.77 -16.95 1 4 0 55 421.263 4 ↓
    Mid Mid (pH 6-8) 4.39 8.87 -43 0 4 -1 61 420.255 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,3-dichloro-benzamide N-(5-benzyl-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) 4.50 9.66 -19.19 1 4 0 55 364.257 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide N-(5-benzyl-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) 4.96 10.67 -16.72 1 4 0 55 431.361 6 ↓
    Hi High (pH 8-9.5) 5.02 9.77 -39.89 0 4 -1 61 430.353 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(isopropylcarbamoylamino)methyl]benzamide N-(5-benzyl-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) 3.12 8.02 -21.21 3 7 0 96 409.515 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-bromo-2-fluoro-benzamide N-(5-benzyl-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) 4.14 9.39 -18.46 1 4 0 55 392.253 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-fluoro-benzamide N-(5-benzyl-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) 4.01 9.27 -19.01 1 4 0 55 347.802 4 ↓
    Mid Mid (pH 6-8) 4.08 8.35 -47.73 0 4 -1 61 346.794 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-bromo-2-fluoro-benzamide N-(5-benzyl-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) 4.14 9.37 -18.77 1 4 0 55 392.253 4 ↓
    Mid Mid (pH 6-8) 4.21 8.46 -47.53 0 4 -1 61 391.245 4 ↓

    Analogs

    5697510
    5697510
    5775661
    5775661
    5814873
    5814873
    6328970
    6328970

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-2-methyl-benzamide N-[5-(4-chlorobenzyl)-1,3,4-thia…

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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) 4.32 0.24 -15.41 1 4 0 54 343.839 4 ↓

    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) 4.35 -0.68 -14.85 1 5 0 64 451.289 5 ↓

    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) 4.50 0.73 -20.26 1 6 0 73 389.864 6 ↓

    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) 3.47 1.55 -20.22 1 6 0 81 387.848 6 ↓

    Analogs

    34933309
    34933309

    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) 3.13 -1.09 -19.83 2 6 0 83 386.864 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(methoxymethyl)benzamide N-(5-benzyl-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) 3.17 8.41 -17.98 1 5 0 64 339.42 6 ↓
    Hi High (pH 8-9.5) 3.24 6.76 -53.68 0 5 -1 70 338.412 6 ↓

    Parameters Provided:

    ring.id = 1411
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 = 1411 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=1411&filter.purchasability=annotated

    Embed Link to Results

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