UCSF
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Analogs

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Popular Name: (5Z)-5-[(6-methoxy-2-pyridyl)methylene]imidazolidine-2,4-dione (5Z)-5-[(6-methoxy-2-pyridyl)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) 0.42 -2.87 -46.4 1 6 -1 91 218.192 2 ↓
Lo Low (pH 4.5-6) -0.03 -0.09 -9.71 2 6 0 88 219.2 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(5-hydroxy-2-pyridyl)methylene]imidazolidine-2,4-dione (5Z)-5-[(5-hydroxy-2-pyridyl)met…

Find On: PubMed — Wikipedia — Google

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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) -0.02 -4.61 -46.97 2 6 -1 102 204.165 1 ↓
Hi High (pH 8-9.5) -0.02 -3.83 -90.48 1 6 -2 105 203.157 1 ↓
Lo Low (pH 4.5-6) -0.48 -1.83 -10.32 3 6 0 99 205.173 1 ↓

Parameters Provided:

ring.id = 369849
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 = 369849 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=369849&filter.purchasability=annotated

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