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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 6-methyl-3-[2-(2-thienylmethylamino)ethyl]pyrimidin-4-one 6-methyl-3-[2-(2-thienylmethylam…

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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) 1.05 6.79 -52.32 2 4 1 52 250.347 5 ↓
Hi High (pH 8-9.5) 1.05 5.45 -12.53 1 4 0 47 249.339 5 ↓

Analogs

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Popular Name: 6-methyl-3-[2-[(3-methyl-2-thienyl)methylamino]ethyl]pyrimidin-4-one 6-methyl-3-[2-[(3-methyl-2-thien…

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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) 1.43 7.37 -52.15 2 4 1 52 264.374 5 ↓
Hi High (pH 8-9.5) 1.43 6.01 -10.96 1 4 0 47 263.366 5 ↓

Analogs

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Popular Name: 3-[2-[(5-chloro-2-thienyl)methylamino]ethyl]-6-methyl-pyrimidin-4-one 3-[2-[(5-chloro-2-thienyl)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) 1.85 7.42 -56.43 2 4 1 52 284.792 5 ↓
Hi High (pH 8-9.5) 1.85 6.08 -12.18 1 4 0 47 283.784 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-3-[2-[(5-methyl-2-thienyl)methylamino]ethyl]pyrimidin-4-one 6-methyl-3-[2-[(5-methyl-2-thien…

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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) 1.27 7.62 -52.3 2 4 1 52 264.374 5 ↓
Hi High (pH 8-9.5) 1.27 6.28 -11.27 1 4 0 47 263.366 5 ↓

Analogs

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Popular Name: 3-[2-[(4-bromo-2-thienyl)methylamino]ethyl]-6-methyl-pyrimidin-4-one 3-[2-[(4-bromo-2-thienyl)methyla…

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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) 1.79 7.4 -56.07 2 4 1 52 329.243 5 ↓
Hi High (pH 8-9.5) 1.79 6.06 -13.16 1 4 0 47 328.235 5 ↓

Analogs

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Popular Name: 6-methyl-3-[2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]pyrimidin-4-one 6-methyl-3-[2-[[(1S)-1-(2-thieny…

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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) 1.61 7.32 -49.41 2 4 1 52 264.374 5 ↓
Hi High (pH 8-9.5) 1.61 6.14 -13.35 1 4 0 47 263.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-3-[2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]pyrimidin-4-one 6-methyl-3-[2-[[(1R)-1-(2-thieny…

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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) 1.61 7.32 -50.05 2 4 1 52 264.374 5 ↓
Hi High (pH 8-9.5) 1.61 6.11 -12.11 1 4 0 47 263.366 5 ↓

Parameters Provided:

ring.id = 74478
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 = 74478 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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