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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: 6-[(N-ethylanilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethylanilino)methyl]-1-met…

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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) 1.52 7.3 -12.71 1 6 0 67 283.335 4 ↓
Hi High (pH 8-9.5) 1.97 4.74 -43.88 0 6 -1 70 282.327 4 ↓

Analogs

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Popular Name: 6-[(4-fluoro-N-methyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-fluoro-N-methyl-anilino)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) 1.30 6.44 -15.16 1 6 0 67 287.298 3 ↓
Hi High (pH 8-9.5) 1.76 3.94 -44.63 0 6 -1 70 286.29 3 ↓

Analogs

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Popular Name: 6-[(2-methoxy-N-methyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(2-methoxy-N-methyl-anilino)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) 1.15 6.42 -12.06 1 7 0 76 299.334 4 ↓
Hi High (pH 8-9.5) 1.60 3.51 -48.05 0 7 -1 79 298.326 4 ↓

Analogs

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Popular Name: 1-methyl-6-[(N,2,4-trimethylanilino)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[(N,2,4-trimethylanil…

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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) 1.97 8.81 -12.34 1 6 0 67 297.362 3 ↓
Hi High (pH 8-9.5) 2.42 5.85 -48.44 0 6 -1 70 296.354 3 ↓
Lo Low (pH 4.5-6) 1.97 8.48 -47.62 2 6 1 68 298.37 3 ↓

Analogs

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Popular Name: 6-[(N-ethyl-2-methyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-2-methyl-anilino)met…

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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) 1.92 9.2 -12.49 1 6 0 67 297.362 4 ↓
Hi High (pH 8-9.5) 2.37 5.44 -44.67 0 6 -1 70 296.354 4 ↓
Lo Low (pH 4.5-6) 1.92 8.3 -46.27 2 6 1 68 298.37 4 ↓

Analogs

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Popular Name: 6-[(N-ethyl-3,4-difluoro-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-3,4-difluoro-anilino…

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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) 1.77 7.43 -16.83 1 6 0 67 319.315 4 ↓
Hi High (pH 8-9.5) 2.23 4.86 -42.13 0 6 -1 70 318.307 4 ↓

Analogs

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Popular Name: 6-[(N-ethyl-3-fluoro-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-3-fluoro-anilino)met…

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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) 1.66 7.37 -14.3 1 6 0 67 301.325 4 ↓
Hi High (pH 8-9.5) 2.11 4.81 -43.03 0 6 -1 70 300.317 4 ↓

Analogs

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Popular Name: 1-methyl-6-[(N,2,3-trimethylanilino)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[(N,2,3-trimethylanil…

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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) 1.94 8.66 -12.39 1 6 0 67 297.362 3 ↓
Hi High (pH 8-9.5) 2.40 5.7 -48.49 0 6 -1 70 296.354 3 ↓
Lo Low (pH 4.5-6) 1.94 8.35 -47.66 2 6 1 68 298.37 3 ↓

Analogs

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Popular Name: 6-[(N-ethyl-2,5-dimethyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-2,5-dimethyl-anilino…

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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) 2.34 9.86 -12.43 1 6 0 67 311.389 4 ↓
Hi High (pH 8-9.5) 2.80 6.12 -44.68 0 6 -1 70 310.381 4 ↓
Lo Low (pH 4.5-6) 2.34 9.07 -45.72 2 6 1 68 312.397 4 ↓

Analogs

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Popular Name: 6-[(N-ethyl-2,4-dimethyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-2,4-dimethyl-anilino…

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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) 2.34 9.86 -12.45 1 6 0 67 311.389 4 ↓
Hi High (pH 8-9.5) 2.80 6.11 -44.81 0 6 -1 70 310.381 4 ↓
Lo Low (pH 4.5-6) 2.34 9.07 -46.12 2 6 1 68 312.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(N-ethyl-3,5-dimethyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-3,5-dimethyl-anilino…

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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) 2.34 8.63 -12.82 1 6 0 67 311.389 4 ↓
Hi High (pH 8-9.5) 2.80 6.07 -44.54 0 6 -1 70 310.381 4 ↓

Analogs

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Popular Name: 6-[(4-tert-butyl-N-methyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-tert-butyl-N-methyl-anilin…

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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) 2.85 8.69 -12.8 1 6 0 67 325.416 4 ↓
Hi High (pH 8-9.5) 3.30 6.19 -46.13 0 6 -1 70 324.408 4 ↓

Analogs

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Popular Name: 6-[(3,4-difluoro-N-methyl-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(3,4-difluoro-N-methyl-anilin…

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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) 1.40 6.49 -17.25 1 6 0 67 305.288 3 ↓
Hi High (pH 8-9.5) 1.85 3.99 -42.63 0 6 -1 70 304.28 3 ↓

Analogs

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Popular Name: 6-[(N-ethyl-3,4-dimethoxy-anilino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(N-ethyl-3,4-dimethoxy-anilin…

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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) 1.16 6.51 -17.3 1 8 0 85 343.387 6 ↓
Hi High (pH 8-9.5) 1.62 3.94 -46.42 0 8 -1 88 342.379 6 ↓
Lo Low (pH 4.5-6) 1.16 6.7 -43.49 2 8 0 86 344.395 6 ↓

Parameters Provided:

ring.id = 25183
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 = 25183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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