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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-(4-fluoroanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(4-fluoroanilino)ethyl]thie…

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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) 2.46 7.24 -15.46 1 4 0 47 289.335 4 ↓

Analogs

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Popular Name: 3-[2-(2-bromoanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(2-bromoanilino)ethyl]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) 3.06 7.9 -13.51 1 4 0 47 350.241 4 ↓

Analogs

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Popular Name: 3-[2-(2-chloroanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(2-chloroanilino)ethyl]thie…

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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) 2.92 7.77 -13.59 1 4 0 47 305.79 4 ↓

Analogs

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Popular Name: 3-[2-(3-methylanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(3-methylanilino)ethyl]thie…

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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) 2.72 7.85 -14.38 1 4 0 47 285.372 4 ↓

Analogs

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Popular Name: 3-[2-(4-methylanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(4-methylanilino)ethyl]thie…

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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) 2.74 7.86 -14.33 1 4 0 47 285.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-chloroanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(4-chloroanilino)ethyl]thie…

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Activity (Go SEA)

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) 2.97 7.7 -14.65 1 4 0 47 305.79 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-fluoroanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(2-fluoroanilino)ethyl]thie…

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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 7.27 -14.27 1 4 0 47 289.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-chloroanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(3-chloroanilino)ethyl]thie…

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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) 2.95 7.68 -15.06 1 4 0 47 305.79 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-fluoroanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(3-fluoroanilino)ethyl]thie…

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Activity (Go SEA)

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) 2.43 7.24 -15.92 1 4 0 47 289.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-bromoanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(3-bromoanilino)ethyl]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) 3.08 7.79 -15.01 1 4 0 47 350.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-methylanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(2-methylanilino)ethyl]thie…

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Activity (Go SEA)

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 7.97 -14.38 1 4 0 47 285.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-bromoanilino)ethyl]thieno[2,3-d]pyrimidin-4-one 3-[2-(4-bromoanilino)ethyl]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) 3.10 7.81 -14.65 1 4 0 47 350.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-anilinoethyl)thieno[2,3-d]pyrimidin-4-one 3-(2-anilinoethyl)thieno[2,3-d]p…

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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) 2.29 7.18 -14.25 1 4 0 47 271.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.89 8.58 -13.89 1 4 0 47 299.399 4 ↓

Parameters Provided:

ring.id = 72518
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 = 72518 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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