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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    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) 1.70 3.93 -19.05 1 7 0 83 309.347 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]methanamine [5-[(4-fluorophenyl)methyl]-1,3,…

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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) 1.30 3.18 -52.89 3 3 1 53 224.284 3 ↓
    Mid Mid (pH 6-8) 1.30 2.77 -10.51 2 3 0 52 223.276 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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) 1.20 2.41 -53.09 3 4 1 63 236.32 4 ↓
    Mid Mid (pH 6-8) 1.20 2 -11.33 2 4 0 61 235.312 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]ethanamine 2-[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) 1.00 3.16 -55.09 3 4 1 63 250.347 5 ↓
    Hi High (pH 8-9.5) 1.00 2.77 -9.87 2 4 0 61 249.339 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanamine [5-[(3,4-dimethoxyphenyl)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) 0.79 2.3 -56.13 3 5 1 72 266.346 5 ↓
    Mid Mid (pH 6-8) 0.79 1.9 -12.44 2 5 0 70 265.338 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(1S,2R)-2-methyl-1-phenyl-butyl]-1,3,4-thiadiazol-2-amine 5-[(1S,2R)-2-methyl-1-phenyl-but…

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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) 3.06 6.74 -7.62 2 3 0 52 247.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(1S,2S)-2-methyl-1-phenyl-butyl]-1,3,4-thiadiazol-2-amine 5-[(1S,2S)-2-methyl-1-phenyl-but…

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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) 3.06 6.75 -7.72 2 3 0 52 247.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(1R,2R)-2-methyl-1-phenyl-butyl]-1,3,4-thiadiazol-2-amine 5-[(1R,2R)-2-methyl-1-phenyl-but…

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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) 3.06 6.75 -7.7 2 3 0 52 247.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(1R,2S)-2-methyl-1-phenyl-butyl]-1,3,4-thiadiazol-2-amine 5-[(1R,2S)-2-methyl-1-phenyl-but…

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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) 3.06 6.73 -7.66 2 3 0 52 247.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(1-methyl-1-phenylethyl)-1,3,4-thiadiazol-2-amine 5-(1-methyl-1-phenylethyl)-1,3,4…

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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) 2.26 5.36 -8.99 2 3 0 52 219.313 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-(5-methoxypentyl)oxamide N'-(5-benzyl-1,3,4-thiadiazol-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) 1.66 5.45 -12.85 2 7 0 93 362.455 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 2.89 6.67 -20.18 2 7 0 93 376.482 9 ↓

    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) 1.82 0.86 -13.4 1 7 0 90 321.358 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-acetamido-N-[5-(1-methyl-1-phenyl-ethyl)-1,3,4-thiadiazol-2-yl]propanamide (2S)-2-acetamido-N-[5-(1-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) 1.43 5.58 -17.34 2 6 0 84 332.429 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-acetamido-N-[5-(1-methyl-1-phenyl-ethyl)-1,3,4-thiadiazol-2-yl]propanamide (2R)-2-acetamido-N-[5-(1-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) 1.43 5.57 -17.46 2 6 0 84 332.429 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-acetamido-N-[5-(o-tolylmethyl)-1,3,4-thiadiazol-2-yl]acetamide 2-acetamido-N-[5-(o-tolylmethyl)…

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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) 1.44 4.23 -17.3 2 6 0 84 304.375 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-acetamido-N-[5-(o-tolylmethyl)-1,3,4-thiadiazol-2-yl]propanamide 3-acetamido-N-[5-(o-tolylmethyl)…

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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) 1.34 4.84 -27.81 2 6 0 84 318.402 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-2-[[5-(1-methyl-1-phenyl-ethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetamide N-ethyl-2-[[5-(1-methyl-1-phenyl…

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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) 2.26 4.24 -17.97 3 7 0 96 347.444 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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) 1.90 2.65 -19.4 3 8 0 105 349.416 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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) 2.78 5.87 -22.84 1 5 0 64 331.319 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3,3-trifluoro-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide 3,3,3-trifluoro-N-[5-[(4-fluorop…

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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) 2.88 6.64 -22.05 1 4 0 55 319.283 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3,3-trifluoro-N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide 3,3,3-trifluoro-N-[5-[(3-fluorop…

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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 6.64 -23.61 1 4 0 55 319.283 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxyethyl)urea 1-(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) 1.22 1.53 -18.98 3 6 0 87 278.337 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(2-bromoallyl)urea 1-(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) 2.97 6.02 -16.14 2 5 0 67 353.245 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methoxy-butanamide (2S)-N-(5-benzyl-1,3,4-thiadiazo…

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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) 2.38 7.05 -18.65 1 5 0 64 291.376 6 ↓
    Hi High (pH 8-9.5) 2.56 5.17 -50.16 0 5 -1 70 290.368 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methoxy-butanamide (2R)-N-(5-benzyl-1,3,4-thiadiazo…

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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) 2.38 6.89 -19.45 1 5 0 64 291.376 6 ↓
    Hi High (pH 8-9.5) 2.56 5.11 -50.44 0 5 -1 70 290.368 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-diethylaminoethyl)-3-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea 1-(2-diethylaminoethyl)-3-[5-[(3…

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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) 2.78 7.55 -49.82 3 6 1 71 352.459 8 ↓

    Parameters Provided:

    ring.id = 1958
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 = 1958 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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