UCSF
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Analogs

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Popular Name: N-(2,4-dioxoimidazolidin-1-yl)-3-methyl-thiophene-2-carboxamide N-(2,4-dioxoimidazolidin-1-yl)-3…

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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) -0.77 0.9 -15.34 2 6 0 79 239.256 2 ↓
Mid Mid (pH 6-8) -0.58 -1.72 -50.18 1 6 -1 85 238.248 2 ↓

Analogs

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Popular Name: 5-acetyl-N-(2,4-dioxoimidazolidin-1-yl)thiophene-2-carboxamide 5-acetyl-N-(2,4-dioxoimidazolidi…

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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) -1.01 0.92 -18.09 2 7 0 96 267.266 3 ↓
Mid Mid (pH 6-8) -0.82 -1.69 -49.38 1 7 -1 102 266.258 3 ↓

Analogs

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Popular Name: N-(2,4-dioxoimidazolidin-1-yl)-5-ethyl-thiophene-2-carboxamide N-(2,4-dioxoimidazolidin-1-yl)-5…

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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) -0.35 1.82 -15.23 2 6 0 79 253.283 3 ↓
Mid Mid (pH 6-8) -0.16 -0.81 -49.68 1 6 -1 85 252.275 3 ↓

Parameters Provided:

ring.id = 590013
filter.purchasability = annotated
page.format = targets
page.num = 1
iocnl3 = legacy
iosrcn = bgt
iosrct = trackref

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 = 590013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=590013&filter.purchasability=annotated

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