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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: 3-[2-(2-thienylmethylamino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[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) 1.90 7.46 -55.41 2 4 1 52 292.409 5 ↓
Hi High (pH 8-9.5) 1.90 6.12 -12.48 1 4 0 47 291.401 5 ↓

Analogs

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Popular Name: 3-[2-[(3-methyl-2-thienyl)methylamino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[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) 2.27 8.04 -55.24 2 4 1 52 306.436 5 ↓
Hi High (pH 8-9.5) 2.27 6.68 -12.41 1 4 0 47 305.428 5 ↓

Analogs

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Popular Name: 3-[2-[(5-chloro-2-thienyl)methylamino]ethyl]thieno[2,3-d]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) 2.70 8.09 -59.6 2 4 1 52 326.854 5 ↓
Hi High (pH 8-9.5) 2.70 6.73 -12.36 1 4 0 47 325.846 5 ↓

Analogs

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Popular Name: 3-[2-[(5-methyl-2-thienyl)methylamino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[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) 2.12 8.29 -55.32 2 4 1 52 306.436 5 ↓
Hi High (pH 8-9.5) 2.12 6.95 -12.71 1 4 0 47 305.428 5 ↓

Analogs

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Popular Name: 3-[2-[(4-bromo-2-thienyl)methylamino]ethyl]thieno[2,3-d]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) 2.63 8.08 -59.14 2 4 1 52 371.305 5 ↓
Hi High (pH 8-9.5) 2.63 6.73 -14.63 1 4 0 47 370.297 5 ↓

Analogs

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Popular Name: 3-[2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[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) 2.45 7.99 -52.42 2 4 1 52 306.436 5 ↓
Hi High (pH 8-9.5) 2.45 6.76 -12.66 1 4 0 47 305.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]thieno[2,3-d]pyrimidin-4-one 3-[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) 2.45 7.97 -53.06 2 4 1 52 306.436 5 ↓
Hi High (pH 8-9.5) 2.45 6.8 -12.22 1 4 0 47 305.428 5 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[2-(2-thienylmethylamino)ethyl]thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-3-[2-(2-thienylmeth…

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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) 2.49 8.86 -55.21 2 4 1 52 320.463 5 ↓
Hi High (pH 8-9.5) 2.49 7.51 -13.62 1 4 0 47 319.455 5 ↓

Parameters Provided:

ring.id = 72519
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 = 72519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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