UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-N'-(oxoBLAHyl)-oxamide N-[2-(4-fluorophenyl)ethyl]-N'-(…

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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) 1.40 -1.91 -14.07 2 6 0 78 381.407 5 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-N'-(oxoBLAHyl)-oxamide N-[2-(2-methoxyphenyl)ethyl]-N'-…

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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) 1.24 -2.6 -13.88 2 7 0 87 393.443 6 ↓

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-N'-(oxoBLAHyl)-oxamide N-[2-(4-methoxyphenyl)ethyl]-N'-…

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Activity (Go SEA)

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) 1.29 -2.63 -14.36 2 7 0 87 393.443 6 ↓

Analogs

39703680
39703680
39703681
39703681
39703684
39703684
39703685
39703685
39703687
39703687

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Popular Name: N'-(oxoBLAHyl)-N-phenethyl-oxamide N'-(oxoBLAHyl)-N-phenethyl-oxamide

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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) 1.24 -2.65 -12.62 2 6 0 78 363.417 5 ↓

Parameters Provided:

ring.id = 8167
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 = 8167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8167&filter.purchasability=annotated

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