UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37855135
37855135
37855182
37855182

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-5-isopropyl-3-methyl-isoxazole-4-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 0.55 3.33 -8.76 1 5 0 67 252.314 5 ↓

Analogs

42452838
42452838

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-5-methyl-isoxazole-4-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -0.73 1.26 -9.14 1 5 0 67 210.233 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-3,5-dimethyl-isoxazole-4-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -0.51 2.19 -9.5 1 5 0 67 224.26 4 ↓

Analogs

37860603
37860603
37860963
37860963

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Popular Name: N-cyclopropyl-3-ethyl-N-(2-hydroxyethyl)-5-methyl-isoxazole-4-carboxamide N-cyclopropyl-3-ethyl-N-(2-hydro…

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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) 0.07 2.89 -9.3 1 5 0 67 238.287 5 ↓

Parameters Provided:

ring.id = 63063
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 = 63063 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=63063&filter.purchasability=annotated

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