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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: 3-amino-1-(4-pyridylmethyl)pyridin-2-one 3-amino-1-(4-pyridylmethyl)pyrid…

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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) 0.07 3.41 -11.95 2 4 0 61 201.229 2 ↓
Lo Low (pH 4.5-6) 0.07 3.87 -39.91 3 4 1 62 202.237 2 ↓

Analogs

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Popular Name: 1-[(2,6-dichloro-4-pyridyl)methyl]-5-nitro-pyridin-2-one 1-[(2,6-dichloro-4-pyridyl)methy…

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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) 2.90 7 -13.51 0 6 0 81 300.101 3 ↓

Analogs

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Popular Name: 1-[(2-chloro-4-pyridyl)methyl]-5-(trifluoromethyl)pyridin-2-one 1-[(2-chloro-4-pyridyl)methyl]-5…

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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) 2.82 6.86 -10.26 0 3 0 35 288.656 3 ↓

Analogs

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Popular Name: 1-[(2-chloro-4-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(2-chloro-4-pyridyl)methyl]-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) 2.05 6.59 -16.52 0 3 0 35 234.686 2 ↓

Analogs

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Popular Name: 3-methyl-1-[[2-(propylamino)-4-pyridyl]methyl]pyridin-2-one 3-methyl-1-[[2-(propylamino)-4-p…

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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) 2.11 7.85 -37.22 2 4 1 48 258.345 5 ↓
Hi High (pH 8-9.5) 2.11 7.37 -13.45 1 4 0 47 257.337 5 ↓

Analogs

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Popular Name: 1-[[2-(ethylamino)-4-pyridyl]methyl]-3-methyl-pyridin-2-one 1-[[2-(ethylamino)-4-pyridyl]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) 1.61 7.08 -36.97 2 4 1 48 244.318 4 ↓
Hi High (pH 8-9.5) 1.61 6.61 -13.85 1 4 0 47 243.31 4 ↓

Analogs

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Popular Name: 3-methyl-1-[[2-(methylamino)-4-pyridyl]methyl]pyridin-2-one 3-methyl-1-[[2-(methylamino)-4-p…

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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) 1.23 6.29 -38.64 2 4 1 48 230.291 3 ↓
Hi High (pH 8-9.5) 1.23 5.82 -14.48 1 4 0 47 229.283 3 ↓

Analogs

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Popular Name: 1-[(2-amino-4-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(2-amino-4-pyridyl)methyl]-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) 0.86 5.39 -39.55 3 4 1 62 216.264 2 ↓
Hi High (pH 8-9.5) 0.86 4.92 -14.22 2 4 0 61 215.256 2 ↓

Analogs

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Popular Name: 1-[(2-hydrazino-4-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(2-hydrazino-4-pyridyl)methyl…

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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) 0.62 4.82 -14.94 3 5 0 73 230.271 3 ↓
Mid Mid (pH 6-8) 0.62 5.3 -37.85 4 5 1 74 231.279 3 ↓

Parameters Provided:

ring.id = 10505
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 = 10505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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