UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-ethyl-6-methyl-2-[2-oxo-2-(2-thienyl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-ethyl-6-methyl-2-[2-oxo-2-(2-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) 3.14 8.06 -17.04 1 4 0 63 318.423 4 ↓

Analogs

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Popular Name: N,5-dimethyl-4-oxo-2-[2-oxo-2-(2-thienyl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide N,5-dimethyl-4-oxo-2-[2-oxo-2-(2…

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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) 1.88 4.98 -19.95 2 6 0 92 347.421 4 ↓
Hi High (pH 8-9.5) 2.34 2.04 -54.86 1 6 -1 95 346.413 4 ↓

Analogs

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Popular Name: allyl allyl

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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) 3.17 8.79 -17.71 1 6 0 89 374.443 7 ↓
Hi High (pH 8-9.5) 3.62 5.87 -50.12 0 6 -1 92 373.435 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.52 7.28 -18 1 6 0 89 348.405 5 ↓
Hi High (pH 8-9.5) 2.98 4.36 -50.42 0 6 -1 92 347.397 5 ↓

Analogs

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Popular Name: 6-tert-butyl-2-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]-3H-thieno[2,3-d]pyrimidin-4-one 6-tert-butyl-2-[2-(5-methyl-2-th…

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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) 4.24 9.46 -16.46 1 4 0 63 346.477 4 ↓

Parameters Provided:

ring.id = 419155
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 = 419155 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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