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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-[(Z)-[4,6-dioxo-1-(p-tolyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]ace 2-[4-[(Z)-[4,6-dioxo-1-(p-tolyl)…

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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) 1.78 8.5 -97.27 0 8 -2 117 424.434 6 ↓

Analogs

1300636
1300636

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Popular Name: (5Z)-1-(3-methoxyphenyl)-2-sulfanyl-5-[(2,4,6-trimethoxyphenyl)methylene]pyrimidine-4,6-dione (5Z)-1-(3-methoxyphenyl)-2-sulfa…

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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) 2.71 5.09 -53.63 0 8 -1 95 427.458 6 ↓

Analogs

34222414
34222414

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Popular Name: (5Z)-5-[(2-methoxyphenyl)methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-5-[(2-methoxyphenyl)methyle…

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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) 3.06 8.45 -47.08 0 5 -1 67 351.407 3 ↓
Lo Low (pH 4.5-6) 2.60 9.53 -10.73 1 5 0 64 352.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-(o-tolylmethylene)-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-5-(o-tolylmethylene)-1-(p-t…

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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) 3.28 8.46 -45.55 0 4 -1 58 335.408 2 ↓
Lo Low (pH 4.5-6) 2.83 10.42 -8.93 1 4 0 55 336.416 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-fluorophenyl)methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-5-[(4-fluorophenyl)methylen…

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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) 3.05 7.92 -42.93 0 4 -1 58 339.371 2 ↓
Lo Low (pH 4.5-6) 2.59 9.89 -10.12 1 4 0 55 340.379 2 ↓

Parameters Provided:

ring.id = 58080
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 = 58080 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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