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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: 4-ethyl-5-[(3R)-1-(6-methoxypyrimidin-4-yl)-3-piperidyl]-2-methyl-1,2,4-triazol-3-one 4-ethyl-5-[(3R)-1-(6-methoxypyri…

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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) 0.35 6.79 -13.32 0 8 0 78 318.381 4 ↓

Analogs

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Popular Name: 4-ethyl-5-[(3S)-1-(6-methoxypyrimidin-4-yl)-3-piperidyl]-2-methyl-1,2,4-triazol-3-one 4-ethyl-5-[(3S)-1-(6-methoxypyri…

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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) 0.35 6.63 -13.33 0 8 0 78 318.381 4 ↓

Analogs

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Popular Name: 5-[(3S)-1-[2-(dimethylamino)-6-ethyl-pyrimidin-4-yl]-3-piperidyl]-4-ethyl-2-methyl-1,2,4-triazol-3-o 5-[(3S)-1-[2-(dimethylamino)-6-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) 1.92 12.3 -13.12 0 8 0 72 359.478 5 ↓
Lo Low (pH 4.5-6) 1.92 12.55 -34.41 1 8 1 73 360.486 5 ↓
Lo Low (pH 4.5-6) 1.92 12.52 -35.74 1 8 1 73 360.486 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-1-[2-(dimethylamino)-6-ethyl-pyrimidin-4-yl]-3-piperidyl]-4-ethyl-2-methyl-1,2,4-triazol-3-o 5-[(3R)-1-[2-(dimethylamino)-6-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) 1.92 12.15 -13.16 0 8 0 72 359.478 5 ↓
Lo Low (pH 4.5-6) 1.92 12.41 -34.61 1 8 1 73 360.486 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-1-(2-amino-6-methyl-pyrimidin-4-yl)-3-piperidyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one 5-[(3R)-1-(2-amino-6-methyl-pyri…

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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) 0.19 8.31 -14.57 2 8 0 95 317.397 3 ↓
Lo Low (pH 4.5-6) 0.19 8.76 -38.5 3 8 1 96 318.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-1-(2-amino-6-methyl-pyrimidin-4-yl)-3-piperidyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one 5-[(3S)-1-(2-amino-6-methyl-pyri…

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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) 0.19 8.15 -14.54 2 8 0 95 317.397 3 ↓
Lo Low (pH 4.5-6) 0.19 8.6 -38.69 3 8 1 96 318.405 3 ↓
Lo Low (pH 4.5-6) 0.19 8.52 -39.37 3 8 1 96 318.405 3 ↓

Parameters Provided:

ring.id = 578408
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 = 578408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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