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Popular Name: 3-[2-(4-fluoroanilino)ethyl]thieno[3,2-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 7.19 -15.92 1 4 0 47 289.335 4 ↓

Analogs

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Popular Name: 3-[2-(2-bromoanilino)ethyl]thieno[3,2-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 7.84 -14.08 1 4 0 47 350.241 4 ↓

Analogs

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Popular Name: 3-[2-(2-chloroanilino)ethyl]thieno[3,2-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 7.71 -14.14 1 4 0 47 305.79 4 ↓

Analogs

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Popular Name: 3-[2-(3-methylanilino)ethyl]thieno[3,2-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 7.78 -14.99 1 4 0 47 285.372 4 ↓

Analogs

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Popular Name: 3-[2-(4-methylanilino)ethyl]thieno[3,2-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 7.79 -14.94 1 4 0 47 285.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-chloroanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(4-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) 2.97 7.64 -15.15 1 4 0 47 305.79 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-fluoroanilino)ethyl]thieno[3,2-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 7.21 -14.87 1 4 0 47 289.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-chloroanilino)ethyl]thieno[3,2-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 7.63 -15.61 1 4 0 47 305.79 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-fluoroanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(3-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) 2.43 7.19 -16.5 1 4 0 47 289.335 4 ↓

Analogs

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Popular Name: 3-[2-(3-bromoanilino)ethyl]thieno[3,2-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 7.73 -15.6 1 4 0 47 350.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-methylanilino)ethyl]thieno[3,2-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 7.92 -14.91 1 4 0 47 285.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-bromoanilino)ethyl]thieno[3,2-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 7.74 -15.09 1 4 0 47 350.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-anilinoethyl)thieno[3,2-d]pyrimidin-4-one 3-(2-anilinoethyl)thieno[3,2-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 7.12 -14.85 1 4 0 47 271.345 4 ↓

Parameters Provided:

ring.id = 74062
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = bgt
iosrct = trackref
iocnl3 = legacy

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 = 74062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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