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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: 1-[2-(2-thienylmethylamino)ethyl]pyrimidine-2,4-dione 1-[2-(2-thienylmethylamino)ethyl…

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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) 0.15 3.71 -59.79 3 5 1 71 252.319 5 ↓
Hi High (pH 8-9.5) 0.61 -0.39 -52.42 1 5 -1 70 250.303 5 ↓
Hi High (pH 8-9.5) 0.15 2.36 -12.97 2 5 0 67 251.311 5 ↓

Analogs

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Popular Name: 1-[2-[(3-methyl-2-thienyl)methylamino]ethyl]pyrimidine-2,4-dione 1-[2-[(3-methyl-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) 0.53 4.28 -59.64 3 5 1 71 266.346 5 ↓
Hi High (pH 8-9.5) 0.53 2.92 -12.88 2 5 0 67 265.338 5 ↓
Hi High (pH 8-9.5) 0.98 0.18 -52.3 1 5 -1 70 264.33 5 ↓

Analogs

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Popular Name: 1-[2-[(5-chloro-2-thienyl)methylamino]ethyl]pyrimidine-2,4-dione 1-[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) 0.95 4.33 -64.13 3 5 1 71 286.764 5 ↓
Hi High (pH 8-9.5) 0.95 2.98 -13 2 5 0 67 285.756 5 ↓
Hi High (pH 8-9.5) 1.41 0.24 -51.37 1 5 -1 70 284.748 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(5-methyl-2-thienyl)methylamino]ethyl]pyrimidine-2,4-dione 1-[2-[(5-methyl-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) 0.37 4.54 -59.66 3 5 1 71 266.346 5 ↓
Hi High (pH 8-9.5) 0.37 3.19 -13.14 2 5 0 67 265.338 5 ↓
Hi High (pH 8-9.5) 0.83 0.45 -52.75 1 5 -1 70 264.33 5 ↓

Analogs

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Popular Name: 1-[2-[(4-bromo-2-thienyl)methylamino]ethyl]pyrimidine-2,4-dione 1-[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) 0.89 4.32 -63.59 3 5 1 71 331.215 5 ↓
Hi High (pH 8-9.5) 1.34 0.42 -49.89 1 5 -1 70 329.199 5 ↓
Hi High (pH 8-9.5) 0.89 2.97 -13.16 2 5 0 67 330.207 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]pyrimidine-2,4-dione 1-[2-[[(1S)-1-(2-thienyl)ethyl]a…

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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) 0.71 4.23 -56.88 3 5 1 71 266.346 5 ↓
Hi High (pH 8-9.5) 1.17 0.27 -52.74 1 5 -1 70 264.33 5 ↓
Hi High (pH 8-9.5) 0.71 3.01 -13.01 2 5 0 67 265.338 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]pyrimidine-2,4-dione 1-[2-[[(1R)-1-(2-thienyl)ethyl]a…

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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) 0.71 4.23 -57.43 3 5 1 71 266.346 5 ↓
Hi High (pH 8-9.5) 1.17 0.3 -52.1 1 5 -1 70 264.33 5 ↓
Hi High (pH 8-9.5) 0.71 3.04 -12.72 2 5 0 67 265.338 5 ↓

Parameters Provided:

ring.id = 73447
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 = 73447 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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