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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-[isobutyl-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile 3-[isobutyl-[[5-(p-tolyl)-2-thio…

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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) 2.71 9.26 -50.51 1 5 1 59 331.465 7 ↓
Mid Mid (pH 6-8) 2.71 7.6 -10.53 0 5 0 58 330.457 7 ↓

Analogs

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Popular Name: 3-[2-cyanoethyl-[[5-(2-methoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]amino]propanenitrile 3-[2-cyanoethyl-[[5-(2-methoxyph…

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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) 0.61 5.36 -22.69 0 7 0 91 343.412 8 ↓

Analogs

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Popular Name: 2-[[5-(4-chlorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-methyl-amino]-N-(3-methoxypropyl)acetami 2-[[5-(4-chlorophenyl)-2-thioxo-…

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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) 2.22 5.26 -47.84 2 7 1 74 385.897 9 ↓
Mid Mid (pH 6-8) 2.22 2.71 -14.81 1 7 0 73 384.889 9 ↓

Analogs

7141772
7141772
7141851
7141851
7141892
7141892

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Popular Name: N-(3-methoxypropyl)-2-[methyl-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]amino]acetamide N-(3-methoxypropyl)-2-[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) 1.99 5.41 -46.01 2 7 1 74 365.479 9 ↓
Mid Mid (pH 6-8) 1.99 2.83 -15.54 1 7 0 73 364.471 9 ↓

Analogs

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Popular Name: 2-[[5-(2-chlorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-methyl-amino]-N-(3-methoxypropyl)acetami 2-[[5-(2-chlorophenyl)-2-thioxo-…

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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) 2.17 5.69 -44.62 2 7 1 74 385.897 9 ↓
Mid Mid (pH 6-8) 2.17 3.15 -16.64 1 7 0 73 384.889 9 ↓

Analogs

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Popular Name: 3-[[methyl(propyl)amino]methyl]-5-(o-tolyl)-1,3,4-oxadiazole-2-thione 3-[[methyl(propyl)amino]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) 2.96 8.2 -38.57 1 4 1 35 278.401 5 ↓
Hi High (pH 8-9.5) 2.96 5.67 -8.25 0 4 0 34 277.393 5 ↓

Analogs

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Popular Name: 5-(3,5-dimethoxyphenyl)-3-[[methyl(propyl)amino]methyl]-1,3,4-oxadiazole-2-thione 5-(3,5-dimethoxyphenyl)-3-[[meth…

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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) 2.60 5.7 -39.36 1 6 1 54 324.426 7 ↓
Hi High (pH 8-9.5) 2.60 3.09 -9.24 0 6 0 53 323.418 7 ↓

Analogs

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Popular Name: 5-(2-methoxyphenyl)-3-[[methyl(propyl)amino]methyl]-1,3,4-oxadiazole-2-thione 5-(2-methoxyphenyl)-3-[[methyl(p…

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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) 2.57 6.83 -37.16 1 5 1 45 294.4 6 ↓
Hi High (pH 8-9.5) 2.57 4.22 -10.2 0 5 0 43 293.392 6 ↓

Analogs

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Popular Name: N,N-diethyl-3-[4-[[methyl(propyl)amino]methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]benzenesulfonamide N,N-diethyl-3-[4-[[methyl(propyl…

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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) 2.60 6.8 -47.33 1 7 1 73 399.562 9 ↓
Hi High (pH 8-9.5) 2.60 4.19 -14.4 0 7 0 72 398.554 9 ↓

Analogs

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Popular Name: 3-[[methyl(propyl)amino]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione 3-[[methyl(propyl)amino]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) 2.19 6.24 -44.48 1 7 1 63 354.452 8 ↓
Hi High (pH 8-9.5) 2.19 3.64 -9.99 0 7 0 62 353.444 8 ↓

Analogs

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Popular Name: 5-(4-bromophenyl)-3-[[2-methoxyethyl(methyl)amino]methyl]-1,3,4-oxadiazole-2-thione 5-(4-bromophenyl)-3-[[2-methoxye…

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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 6.14 -40.51 1 5 1 45 359.269 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 165279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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