UCSF
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Analogs

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Popular Name: 1-ethyl-6-imidazol-1-yl-5-isopropyl-pyrimidine-2,4-dione 1-ethyl-6-imidazol-1-yl-5-isopro…

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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) 0.61 6.28 -7.84 1 6 0 73 248.286 3 ↓
Mid Mid (pH 6-8) 1.07 3.75 -43.83 0 6 -1 76 247.278 3 ↓
Lo Low (pH 4.5-6) 0.61 6.79 -47.02 2 6 1 74 249.294 3 ↓

Analogs

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Popular Name: 4-imidazol-1-yl-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile 4-imidazol-1-yl-1,3-dimethyl-2,6…

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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) -0.98 5.93 -12.25 0 7 0 86 231.215 1 ↓
Mid Mid (pH 6-8) -0.98 6.43 -46.27 1 7 1 87 232.223 1 ↓

Parameters Provided:

ring.id = 194360
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 = 194360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=194360&filter.purchasability=annotated

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