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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: 5-[2-(4-fluoroanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(4-fluoroanilino)ethyl]-1-m…

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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) 1.25 6.85 -16.86 1 6 0 65 287.298 4 ↓

Analogs

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Popular Name: 5-[2-(2-bromoanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(2-bromoanilino)ethyl]-1-me…

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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) 1.84 7.5 -14.7 1 6 0 65 348.204 4 ↓

Analogs

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Popular Name: 5-[2-(2-chloroanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(2-chloroanilino)ethyl]-1-m…

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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) 1.71 7.38 -14.79 1 6 0 65 303.753 4 ↓

Analogs

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Popular Name: 1-methyl-5-[2-(3-methylanilino)ethyl]pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-5-[2-(3-methylanilino)e…

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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) 1.51 7.45 -15.59 1 6 0 65 283.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[2-(4-methylanilino)ethyl]pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-5-[2-(4-methylanilino)e…

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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) 1.53 7.46 -15.5 1 6 0 65 283.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-chloroanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(4-chloroanilino)ethyl]-1-m…

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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) 1.76 7.3 -16.07 1 6 0 65 303.753 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(2-fluoroanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(2-fluoroanilino)ethyl]-1-m…

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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) 1.20 6.87 -15.51 1 6 0 65 287.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(3-chloroanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(3-chloroanilino)ethyl]-1-m…

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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) 1.74 7.3 -15.6 1 6 0 65 303.753 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(3-fluoroanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(3-fluoroanilino)ethyl]-1-m…

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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) 1.22 6.85 -16.26 1 6 0 65 287.298 4 ↓

Analogs

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Popular Name: 5-[2-(3-bromoanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(3-bromoanilino)ethyl]-1-me…

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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) 1.87 7.41 -15.57 1 6 0 65 348.204 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[2-(2-methylanilino)ethyl]pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-5-[2-(2-methylanilino)e…

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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) 1.48 7.58 -15.64 1 6 0 65 283.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-bromoanilino)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-(4-bromoanilino)ethyl]-1-me…

Find On: PubMed — Wikipedia — Google

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) 1.89 7.41 -16.04 1 6 0 65 348.204 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-anilinoethyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-(2-anilinoethyl)-1-methyl-pyra…

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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) 1.08 6.78 -15.5 1 6 0 65 269.308 4 ↓

Parameters Provided:

ring.id = 74905
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 = 74905 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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