UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21630235
21630235
21630525
21630525
21630709
21630709
21631023
21631023

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Popular Name: 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazol-5-amine 3-(3,4-dimethoxyphenyl)-N-[2-(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) 2.89 5.64 -16.5 1 8 0 88 385.42 9 ↓

Analogs

21630235
21630235
21630525
21630525

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Popular Name: 3-(3,4-dimethoxyphenyl)-N-[2-(m-tolyl)ethyl]-1,2,4-oxadiazol-5-amine 3-(3,4-dimethoxyphenyl)-N-[2-(m-…

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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) 3.66 7.07 -11.71 1 6 0 69 339.395 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-N-phenethyl-1,2,4-oxadiazol-5-amine 3-(3,4-dimethoxyphenyl)-N-phenet…

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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) 3.24 6.41 -11.72 1 6 0 69 325.368 7 ↓

Parameters Provided:

ring.id = 85080
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 = 85080 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=85080&filter.purchasability=annotated

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