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Analogs

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Popular Name: N-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-methyl-furan N-[2-[(5Z)-5-[(4-ethoxy-3-methox…

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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) 1.56 6.66 -19.15 1 8 0 100 430.482 8 ↓

Analogs

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Popular Name: N-[2-[(5Z)-5-[(3-bromophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-methyl-furan-3-carboxami N-[2-[(5Z)-5-[(3-bromophenyl)met…

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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) 2.32 6.98 -14.74 1 6 0 81 435.299 5 ↓

Analogs

30875180
30875180

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Popular Name: N-[2-[(5Z)-5-[(4-methoxyphenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]furan-3-carboxamide N-[2-[(5Z)-5-[(4-methoxyphenyl)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) 1.37 4.89 -17.87 1 7 0 91 372.402 6 ↓

Parameters Provided:

ring.id = 61461
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 = 61461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=61461&filter.purchasability=annotated

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