UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33928051
33928051

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Popular Name: (Z)-1-(4-ethylphenyl)-5-(4-((2-fluorobenzyl)oxy)benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-ethylphenyl)-5-(4-((2-f…

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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) 4.77 10.1 -49 0 6 -1 84 443.454 6 ↓
Lo Low (pH 4.5-6) 4.32 11.88 -12.38 1 6 0 81 444.462 6 ↓

Analogs

1302988
1302988

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Popular Name: (5Z)-5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-1-(2,5-dimethoxyphenyl)hexahydropyrimidine-2,4,6-tr (5Z)-5-[(4-benzyloxy-3-methoxy-p…

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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) 3.80 7.23 -55.12 0 9 -1 112 487.488 8 ↓
Lo Low (pH 4.5-6) 3.34 9 -17.69 1 9 0 109 488.496 8 ↓

Analogs

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Popular Name: 3-[[4-[(E)-[1-(m-tolyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoic 3-[[4-[(E)-[1-(m-tolyl)-2,4,6-tr…

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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) 4.27 9.1 -104.34 0 8 -2 124 454.438 6 ↓
Lo Low (pH 4.5-6) 3.81 11.54 -58.58 1 8 -1 121 455.446 6 ↓

Parameters Provided:

ring.id = 95410
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 = 95410 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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