UCSF
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Analogs

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Popular Name: (5E)-1-allyl-5-[(2-morpholinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-allyl-5-[(2-morpholinoeth…

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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) -0.60 2.56 -10.81 2 7 0 79 324.406 6 ↓
Mid Mid (pH 6-8) -0.60 4.82 -55.98 3 7 1 81 325.414 6 ↓

Analogs

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Popular Name: (5E)-1-ethyl-5-[(2-morpholinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-ethyl-5-[(2-morpholinoeth…

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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) -0.87 1.96 -10.77 2 7 0 79 312.395 5 ↓
Mid Mid (pH 6-8) -0.87 4.23 -55.68 3 7 1 81 313.403 5 ↓

Analogs

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Popular Name: 1,3-diethyl-5-[(2-morpholinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 1,3-diethyl-5-[(2-morpholinoethy…

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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 4.56 -10.32 1 7 0 69 340.449 6 ↓
Mid Mid (pH 6-8) -0.42 6.84 -54.54 2 7 1 70 341.457 6 ↓

Parameters Provided:

ring.id = 56720
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 = 56720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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