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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: 1-[(6-chloro-3-pyridyl)methyl]-3-nitro-pyridin-2-one 1-[(6-chloro-3-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) 1.61 7.49 -26.09 0 6 0 81 265.656 3 ↓

Analogs

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Popular Name: 3-amino-1-(3-pyridylmethyl)pyridin-2-one 3-amino-1-(3-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) 0.12 3.39 -13.71 2 4 0 61 201.229 2 ↓
Lo Low (pH 4.5-6) 0.12 3.85 -36.55 3 4 1 62 202.237 2 ↓

Analogs

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Popular Name: 3-acetyl-4-hydroxy-6-methyl-1-(3-pyridylmethyl)pyridin-2-one 3-acetyl-4-hydroxy-6-methyl-1-(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) 0.99 -0.57 -25.37 1 5 0 72 258.277 3 ↓
Lo Low (pH 4.5-6) 0.99 -0.45 -48.31 2 5 1 73 259.285 3 ↓

Analogs

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Popular Name: 1-[[2-(aminomethyl)-3-pyridyl]methyl]-3-methyl-pyridin-2-one 1-[[2-(aminomethyl)-3-pyridyl]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) 0.67 4.35 -57.24 3 4 1 63 230.291 3 ↓
Hi High (pH 8-9.5) 0.67 3.96 -13.37 2 4 0 61 229.283 3 ↓

Analogs

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Popular Name: 1-[(6-chloro-3-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(6-chloro-3-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) 2.10 6.57 -16.46 0 3 0 35 234.686 2 ↓

Analogs

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Popular Name: 1-[(2-chloro-3-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(2-chloro-3-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 6.9 -12.39 0 3 0 35 234.686 2 ↓

Analogs

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Popular Name: 3-[(3-methyl-2-oxo-1-pyridyl)methyl]pyridine-2-carbonitrile 3-[(3-methyl-2-oxo-1-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) 1.24 5.97 -9.36 0 4 0 59 225.251 2 ↓

Analogs

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Popular Name: 3-[(3-methyl-2-oxo-1-pyridyl)methyl]pyridine-2-carbothioamide 3-[(3-methyl-2-oxo-1-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) 1.29 5.16 -16.59 2 4 0 61 259.334 3 ↓
Lo Low (pH 4.5-6) 1.29 5.63 -50.57 3 4 1 62 260.342 3 ↓

Analogs

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Popular Name: 1-[(6-amino-3-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(6-amino-3-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) 0.91 5.36 -35.97 3 4 1 62 216.264 2 ↓
Mid Mid (pH 6-8) 0.91 4.89 -15.9 2 4 0 61 215.256 2 ↓

Analogs

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Popular Name: 3-methyl-1-[[6-(methylamino)-3-pyridyl]methyl]pyridin-2-one 3-methyl-1-[[6-(methylamino)-3-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) 1.28 6.28 -34.55 2 4 1 48 230.291 3 ↓
Mid Mid (pH 6-8) 1.28 5.8 -16.07 1 4 0 47 229.283 3 ↓

Analogs

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Popular Name: 1-[[6-(ethylamino)-3-pyridyl]methyl]-3-methyl-pyridin-2-one 1-[[6-(ethylamino)-3-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) 1.66 7.07 -34.33 2 4 1 48 244.318 4 ↓
Mid Mid (pH 6-8) 1.66 6.59 -15.7 1 4 0 47 243.31 4 ↓

Analogs

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Popular Name: 3-methyl-1-[[6-(propylamino)-3-pyridyl]methyl]pyridin-2-one 3-methyl-1-[[6-(propylamino)-3-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) 2.16 7.83 -34.52 2 4 1 48 258.345 5 ↓
Mid Mid (pH 6-8) 2.16 7.36 -15.45 1 4 0 47 257.337 5 ↓

Analogs

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Popular Name: 3-methyl-1-[[2-(propylamino)-3-pyridyl]methyl]pyridin-2-one 3-methyl-1-[[2-(propylamino)-3-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 8.2 -36.76 2 4 1 48 258.345 5 ↓
Mid Mid (pH 6-8) 2.11 7.84 -12.03 1 4 0 47 257.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-(ethylamino)-3-pyridyl]methyl]-3-methyl-pyridin-2-one 1-[[2-(ethylamino)-3-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 7.44 -36.58 2 4 1 48 244.318 4 ↓
Mid Mid (pH 6-8) 1.61 7.07 -12.2 1 4 0 47 243.31 4 ↓

Analogs

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Popular Name: 3-methyl-1-[[2-(methylamino)-3-pyridyl]methyl]pyridin-2-one 3-methyl-1-[[2-(methylamino)-3-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 6.9 -37.59 2 4 1 48 230.291 3 ↓
Mid Mid (pH 6-8) 1.23 6.51 -13.27 1 4 0 47 229.283 3 ↓

Analogs

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Popular Name: 1-[(2-amino-3-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(2-amino-3-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 5.81 -39.53 3 4 1 62 216.264 2 ↓
Mid Mid (pH 6-8) 0.86 5.33 -13.09 2 4 0 61 215.256 2 ↓

Analogs

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Popular Name: 1-[(2-hydrazino-3-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(2-hydrazino-3-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 5.23 -14.3 3 5 0 73 230.271 3 ↓
Mid Mid (pH 6-8) 0.62 5.69 -37.9 4 5 1 74 231.279 3 ↓

Analogs

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Popular Name: 1-[(6-hydrazino-3-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(6-hydrazino-3-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) 0.67 4.79 -17.49 3 5 0 73 230.271 3 ↓
Mid Mid (pH 6-8) 0.67 5.27 -35.65 4 5 1 74 231.279 3 ↓

Analogs

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Popular Name: 3-[(3-methyl-2-oxo-1-pyridyl)methyl]pyridine-2-carboxylic 3-[(3-methyl-2-oxo-1-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) 1.06 6.9 -60.63 0 5 -1 75 243.242 3 ↓
Lo Low (pH 4.5-6) 1.06 7.33 -42.08 1 5 0 76 244.25 3 ↓

Parameters Provided:

ring.id = 10449
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 = 10449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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