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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: (2S)-2-(dimethylamino)-1-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(m-tolyl)ethanone (2S)-2-(dimethylamino)-1-(2-isob…

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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 8.27 -8.51 0 5 0 49 352.482 5 ↓
Lo Low (pH 4.5-6) 2.43 10.38 -38.64 1 5 1 51 353.49 5 ↓

Analogs

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Popular Name: (2R)-2-(dimethylamino)-1-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(m-tolyl)ethanone (2R)-2-(dimethylamino)-1-(2-isob…

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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 8.3 -8.53 0 5 0 49 352.482 5 ↓
Lo Low (pH 4.5-6) 2.43 10.37 -38.71 1 5 1 51 353.49 5 ↓

Analogs

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Popular Name: 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)phenyl]ethanone 1-(2-ethyl-5,7-dihydropyrrolo[3,…

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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) 2.33 8.44 -11.85 0 4 0 46 335.329 4 ↓

Analogs

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Popular Name: (2S)-1-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenyl-butan-1-one (2S)-1-(2-isobutyl-5,7-dihydropy…

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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) 3.34 9.83 -8.4 0 4 0 46 323.44 5 ↓

Analogs

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Popular Name: (2R)-1-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenyl-butan-1-one (2R)-1-(2-isobutyl-5,7-dihydropy…

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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) 3.34 9.86 -8.55 0 4 0 46 323.44 5 ↓

Analogs

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Popular Name: 2-(3,5-dimethoxyphenyl)-1-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone 2-(3,5-dimethoxyphenyl)-1-(2-iso…

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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) 2.24 7.41 -13.12 0 6 0 65 355.438 6 ↓

Analogs

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Popular Name: (2R)-2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(p-tolyl)ethanone (2R)-2-(dimethylamino)-1-(2-ethy…

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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 6.95 -9.04 0 5 0 49 324.428 4 ↓
Mid Mid (pH 6-8) 1.71 9.01 -39.23 1 5 1 51 325.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(p-tolyl)ethanone (2S)-2-(dimethylamino)-1-(2-ethy…

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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 6.98 -8.59 0 5 0 49 324.428 4 ↓
Mid Mid (pH 6-8) 1.71 9.01 -39.24 1 5 1 51 325.436 4 ↓

Analogs

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Popular Name: (2R)-2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(m-tolyl)ethanone (2R)-2-(dimethylamino)-1-(2-ethy…

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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) 1.69 6.94 -8.85 0 5 0 49 324.428 4 ↓
Lo Low (pH 4.5-6) 1.69 9 -39.05 1 5 1 51 325.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(m-tolyl)ethanone (2S)-2-(dimethylamino)-1-(2-ethy…

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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) 1.69 6.97 -8.44 0 5 0 49 324.428 4 ↓
Lo Low (pH 4.5-6) 1.69 9 -39.07 1 5 1 51 325.436 4 ↓

Analogs

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Popular Name: 2-(3,4-dichlorophenyl)-1-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone 2-(3,4-dichlorophenyl)-1-(2-isob…

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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) 3.49 9.78 -11.49 0 4 0 46 364.276 4 ↓

Parameters Provided:

ring.id = 526781
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 = 526781 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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