UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-isobutyl-3-[[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione 1-isobutyl-3-[[3-(4-isopropylphe…

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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) 2.91 7.81 -10.23 0 8 0 100 370.409 6 ↓

Analogs

25254732
25254732

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Popular Name: 1-ethyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione 1-ethyl-3-[[3-(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) 0.71 3.88 -11.62 0 9 0 109 330.3 5 ↓

Analogs

25254732
25254732
25254743
25254743

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Popular Name: 1-isopropyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione 1-isopropyl-3-[[3-(4-methoxyphen…

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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) 1.07 4.28 -11.78 0 9 0 109 344.327 5 ↓

Analogs

25254735
25254735
25254743
25254743

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Popular Name: 1-isopropyl-3-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione 1-isopropyl-3-[[3-(o-tolyl)-1,2,…

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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) 1.42 5.98 -10.83 0 8 0 100 328.328 4 ↓

Analogs

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Popular Name: 1-allyl-3-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione 1-allyl-3-[[3-(m-tolyl)-1,2,4-ox…

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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 5.62 -11.89 0 8 0 100 326.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-3-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione 1-isobutyl-3-[[3-(m-tolyl)-1,2,4…

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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) 1.82 6.39 -11.57 0 8 0 100 342.355 5 ↓

Parameters Provided:

ring.id = 113079
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 = 113079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=113079&filter.purchasability=annotated

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