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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: N-[(1S)-2-methoxy-1-methyl-ethyl]-1-(2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidi N-[(1S)-2-methoxy-1-methyl-ethyl…

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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) 0.50 5.25 -56.3 3 7 1 84 348.471 5 ↓
Hi High (pH 8-9.5) 0.50 3.89 -11.97 2 7 0 79 347.463 5 ↓
Lo Low (pH 4.5-6) 0.50 5.64 -117.72 4 7 2 85 349.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-1-(2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidi N-[(1R)-2-methoxy-1-methyl-ethyl…

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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) 0.50 5.25 -56.85 3 7 1 84 348.471 5 ↓
Hi High (pH 8-9.5) 0.50 3.89 -12.43 2 7 0 79 347.463 5 ↓
Lo Low (pH 4.5-6) 0.50 5.64 -117.72 4 7 2 85 349.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-4-piperidyl]acetamide 2-[1-(5,6,7,8-tetrahydropyrido[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) 0.18 3.66 -50.04 4 6 1 89 276.364 3 ↓
Hi High (pH 8-9.5) 0.18 2.3 -9.36 3 6 0 84 275.356 3 ↓
Mid Mid (pH 6-8) 0.18 2.7 -35.34 4 6 1 85 276.364 3 ↓

Parameters Provided:

ring.id = 66506
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 = 66506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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