UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(morpholinomethyl)-5-(p-tolyl)-1,3,4-oxadiazole-2-thione 3-(morpholinomethyl)-5-(p-tolyl)…

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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) 1.98 3.4 -8.72 0 5 0 43 291.376 3 ↓

Analogs

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Popular Name: 5-(2,4-dichlorophenyl)-3-(morpholinomethyl)-1,3,4-oxadiazole-2-thione 5-(2,4-dichlorophenyl)-3-(morpho…

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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) 2.81 3.79 -8.11 0 5 0 43 346.239 3 ↓

Analogs

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Popular Name: 5-(3-bromophenyl)-3-(morpholinomethyl)-1,3,4-oxadiazole-2-thione 5-(3-bromophenyl)-3-(morpholinom…

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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) 2.31 3.35 -8.56 0 5 0 43 356.245 3 ↓

Analogs

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Popular Name: 5-(2-ethoxyphenyl)-3-(morpholinomethyl)-1,3,4-oxadiazole-2-thione 5-(2-ethoxyphenyl)-3-(morpholino…

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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) 1.91 3.23 -10.61 0 6 0 53 321.402 5 ↓
Mid Mid (pH 6-8) 1.91 5.8 -37.12 1 6 1 54 322.41 5 ↓

Analogs

14238655
14238655
14238658
14238658
6996853
6996853

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Popular Name: 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-thione 3-[[(2R,6R)-2,6-dimethylmorpholi…

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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) 2.37 4.58 -11.42 0 5 0 43 323.393 3 ↓

Analogs

14238658
14238658
14238649
14238649
6996853
6996853

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Popular Name: 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-thione 3-[[(2S,6R)-2,6-dimethylmorpholi…

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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) 2.37 4.07 -10.61 0 5 0 43 323.393 3 ↓
Mid Mid (pH 6-8) 2.37 6.45 -38.8 1 5 1 45 324.401 3 ↓

Analogs

14238649
14238649
14238655
14238655

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Popular Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-thione 3-[[(2S,6S)-2,6-dimethylmorpholi…

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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) 2.37 4.57 -11.63 0 5 0 43 323.393 3 ↓

Parameters Provided:

ring.id = 24027
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 = 24027 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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