UCSF
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Analogs

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Popular Name: N-(4,6-dihydrothieno[3,4-c]isoxazol-3-yl)-6-(4-methoxyphenyl)-3-methyl-imidazo[2,1-b]thiazole-2-carb N-(4,6-dihydrothieno[3,4-c]isoxa…

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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) 3.22 9.03 -14.4 1 7 0 82 412.496 4 ↓

Analogs

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Popular Name: N-(4,6-dihydrothieno[3,4-c]isoxazol-3-yl)-4-(6-oxo-4-phenyl-pyrimidin-1-yl)butanamide N-(4,6-dihydrothieno[3,4-c]isoxa…

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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) 1.87 9.71 -28.69 1 7 0 90 382.445 6 ↓

Analogs

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Popular Name: N-(4,6-dihydrothieno[3,4-c]isoxazol-3-yl)-4-[4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]butanamide N-(4,6-dihydrothieno[3,4-c]isoxa…

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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) 1.92 9.01 -29.53 1 8 0 99 412.471 7 ↓

Analogs

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Popular Name: N-(4,6-dihydrothieno[3,4-c]isoxazol-3-yl)-4-[4-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]butanamide N-(4,6-dihydrothieno[3,4-c]isoxa…

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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) 2.03 9.78 -28.21 1 7 0 90 400.435 6 ↓

Analogs

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Popular Name: N-(4,6-dihydrothieno[3,4-c]isoxazol-3-yl)-4-[4-(4-ethoxyphenyl)-6-oxo-pyrimidin-1-yl]butanamide N-(4,6-dihydrothieno[3,4-c]isoxa…

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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) 2.30 9.96 -29.33 1 8 0 99 426.498 8 ↓

Parameters Provided:

ring.id = 543390
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 = 543390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=543390&filter.purchasability=annotated

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