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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-(3-methyl-2-thienyl)-4-phenyl-1H-pyrimidin-6-one 2-(3-methyl-2-thienyl)-4-phenyl-…

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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) 3.63 7.91 -9.15 1 3 0 46 268.341 2 ↓
Hi High (pH 8-9.5) 4.08 6.34 -52.39 0 3 -1 49 267.333 2 ↓

Analogs

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Popular Name: 2-(5-bromo-2-thienyl)-4-phenyl-1H-pyrimidin-6-one 2-(5-bromo-2-thienyl)-4-phenyl-1…

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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) 4.18 7.63 -7.76 1 3 0 46 333.21 2 ↓
Hi High (pH 8-9.5) 4.64 5.6 -47.37 0 3 -1 49 332.202 2 ↓

Analogs

18140172
18140172

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Popular Name: 2-(5-methyl-2-thienyl)-4-phenyl-1H-pyrimidin-6-one 2-(5-methyl-2-thienyl)-4-phenyl-…

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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) 3.47 7.71 -9.03 1 3 0 46 268.341 2 ↓
Hi High (pH 8-9.5) 3.93 5.71 -53.67 0 3 -1 49 267.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-thienyl)-4-phenyl-1H-pyrimidin-6-one 2-(4-bromo-2-thienyl)-4-phenyl-1…

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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) 3.99 7.53 -9.12 1 3 0 46 333.21 2 ↓
Hi High (pH 8-9.5) 4.44 5.5 -50.62 0 3 -1 49 332.202 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-2-thienyl)-4-phenyl-1H-pyrimidin-6-one 2-(5-chloro-2-thienyl)-4-phenyl-…

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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) 4.05 7.52 -7.81 1 3 0 46 288.759 2 ↓
Hi High (pH 8-9.5) 4.51 5.5 -47.43 0 3 -1 49 287.751 2 ↓

Parameters Provided:

ring.id = 111194
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 = 111194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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