UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36154397
36154397

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Popular Name: 2-[(2-morpholinoethylamino)methyl]-5-(o-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-[(2-morpholinoethylamino)methy…

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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) 2.41 5.47 -60.65 3 6 1 75 385.513 6 ↓
Hi High (pH 8-9.5) 2.41 4.11 -12.35 2 6 0 70 384.505 6 ↓
Hi High (pH 8-9.5) 2.87 3.1 -47.14 2 6 0 78 384.505 6 ↓

Analogs

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Popular Name: 5-(3,4-dimethoxyphenyl)-2-[(2-morpholinoethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(3,4-dimethoxyphenyl)-2-[(2-mo…

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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) 1.65 4.31 -64.83 3 8 1 93 431.538 8 ↓
Hi High (pH 8-9.5) 1.65 2.95 -15.65 2 8 0 89 430.53 8 ↓
Hi High (pH 8-9.5) 2.11 1.98 -50.38 2 8 0 96 430.53 8 ↓

Analogs

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Popular Name: 5-(4-chlorophenyl)-2-[(2-morpholinoethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(4-chlorophenyl)-2-[(2-morphol…

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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) 2.69 5.62 -60.78 3 6 1 75 405.931 6 ↓
Hi High (pH 8-9.5) 2.69 3.82 -20.34 2 6 0 70 404.923 6 ↓
Mid Mid (pH 6-8) 3.14 3.29 -46.41 2 6 0 78 404.923 6 ↓

Analogs

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Popular Name: 5-(3-methoxyphenyl)-2-[(2-morpholinoethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(3-methoxyphenyl)-2-[(2-morpho…

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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) 2.04 4.4 -61.94 3 7 1 84 401.512 7 ↓
Hi High (pH 8-9.5) 2.04 3.04 -13.59 2 7 0 79 400.504 7 ↓
Hi High (pH 8-9.5) 2.50 2.07 -49 2 7 0 87 400.504 7 ↓

Analogs

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Popular Name: 5-(3-chlorophenyl)-2-[(2-morpholinoethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(3-chlorophenyl)-2-[(2-morphol…

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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) 2.66 5.62 -61.03 3 6 1 75 405.931 6 ↓
Hi High (pH 8-9.5) 2.66 4.26 -13.18 2 6 0 70 404.923 6 ↓
Mid Mid (pH 6-8) 3.12 3.28 -47.95 2 6 0 78 404.923 6 ↓

Analogs

36154251
36154251

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Popular Name: 5-(2,4-dimethylphenyl)-2-[(2-morpholinoethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(2,4-dimethylphenyl)-2-[(2-mor…

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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) 2.83 6.14 -60.68 3 6 1 75 399.54 6 ↓
Hi High (pH 8-9.5) 2.83 4.78 -12.41 2 6 0 70 398.532 6 ↓
Hi High (pH 8-9.5) 3.29 3.76 -47.42 2 6 0 78 398.532 6 ↓

Analogs

36206484
36206484

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Popular Name: 5-(2,5-dimethylphenyl)-2-[(2-morpholinoethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(2,5-dimethylphenyl)-2-[(2-mor…

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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) 2.83 6.22 -60.63 3 6 1 75 399.54 6 ↓
Hi High (pH 8-9.5) 2.83 4.86 -12.37 2 6 0 70 398.532 6 ↓
Hi High (pH 8-9.5) 3.29 3.88 -47.34 2 6 0 78 398.532 6 ↓

Parameters Provided:

ring.id = 74686
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 = 74686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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