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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-(2-pyridylmethyl)pyridin-2-one 3-amino-1-(2-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) 0.18 3.35 -15.23 2 4 0 61 201.229 2 ↓
Lo Low (pH 4.5-6) 0.18 3.75 -39.14 3 4 1 62 202.237 2 ↓

Analogs

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Popular Name: 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]pyridin-2-one 3-amino-1-[(4-methoxy-3,5-dimeth…

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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) 1.38 4.97 -31.75 3 5 1 71 260.317 3 ↓
Mid Mid (pH 6-8) 1.38 3.92 -8.43 2 5 0 70 259.309 3 ↓

Analogs

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Popular Name: 1-[(3,6-dichloro-2-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(3,6-dichloro-2-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) 3.19 6.74 -13.84 0 3 0 35 269.131 2 ↓

Analogs

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Popular Name: 1-[[3-chloro-6-(propylamino)-2-pyridyl]methyl]-3-methyl-pyridin-2-one 1-[[3-chloro-6-(propylamino)-2-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) 3.24 7.53 -12.33 1 4 0 47 291.782 5 ↓
Lo Low (pH 4.5-6) 3.24 7.9 -28.86 2 4 1 48 292.79 5 ↓

Analogs

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Popular Name: 1-[[3-chloro-6-(ethylamino)-2-pyridyl]methyl]-3-methyl-pyridin-2-one 1-[[3-chloro-6-(ethylamino)-2-py…

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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) 2.74 6.77 -12.63 1 4 0 47 277.755 4 ↓
Lo Low (pH 4.5-6) 2.74 7.13 -28.71 2 4 1 48 278.763 4 ↓

Analogs

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Popular Name: 1-[[3-chloro-6-(methylamino)-2-pyridyl]methyl]-3-methyl-pyridin-2-one 1-[[3-chloro-6-(methylamino)-2-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) 2.37 5.97 -12.92 1 4 0 47 263.728 3 ↓
Lo Low (pH 4.5-6) 2.37 7.25 -32.23 2 4 1 48 264.736 3 ↓

Analogs

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Popular Name: 1-[(6-amino-3-chloro-2-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(6-amino-3-chloro-2-pyridyl)m…

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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) 1.99 5.05 -12.72 2 4 0 61 249.701 2 ↓
Lo Low (pH 4.5-6) 1.99 6.34 -34.05 3 4 1 62 250.709 2 ↓

Analogs

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Popular Name: 1-[(3-chloro-6-hydrazino-2-pyridyl)methyl]-3-methyl-pyridin-2-one 1-[(3-chloro-6-hydrazino-2-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) 1.75 4.95 -14.1 3 5 0 73 264.716 3 ↓
Lo Low (pH 4.5-6) 1.75 6.13 -33.11 4 5 1 74 265.724 3 ↓

Analogs

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Popular Name: methyl 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) 1.94 9.22 -46.24 1 9 1 118 348.335 6 ↓
Mid Mid (pH 6-8) 1.94 7.97 -12.4 0 9 0 116 347.327 6 ↓

Analogs

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Popular Name: 1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile 1-[(4-methoxy-3,5-dimethyl-2-pyr…

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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) 1.87 8.1 -48.21 1 8 1 115 315.309 4 ↓
Mid Mid (pH 6-8) 1.87 7.07 -12.79 0 8 0 114 314.301 4 ↓

Analogs

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Popular Name: 5-amino-1-[(6-methoxy-2-pyridyl)methyl]pyridin-2-one 5-amino-1-[(6-methoxy-2-pyridyl)…

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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) 0.90 1.75 -17.25 2 5 0 70 231.255 3 ↓

Analogs

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Popular Name: 3-amino-1-[(6-methoxy-2-pyridyl)methyl]pyridin-2-one 3-amino-1-[(6-methoxy-2-pyridyl)…

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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) 0.58 1.83 -16.08 2 5 0 70 231.255 3 ↓

Analogs

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Popular Name: 1-[(6-methoxy-2-pyridyl)methyl]-6-oxo-pyridine-3-carboxylic 1-[(6-methoxy-2-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) 0.99 4.46 -46.94 0 6 -1 84 259.241 4 ↓

Analogs

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Popular Name: 1-[(6-methoxy-2-pyridyl)methyl]-2-oxo-pyridine-3-carboxylic 1-[(6-methoxy-2-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 5.36 -81.35 0 6 -1 84 259.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6-methoxy-2-pyridyl)methyl]-6-methyl-2-oxo-pyridine-3-carboxylic 1-[(6-methoxy-2-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) 0.83 6.31 -65.85 0 6 -1 84 273.268 4 ↓

Analogs

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Popular Name: 1-[(6-methoxy-2-pyridyl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-[(6-methoxy-2-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) 1.59 6.86 -66.04 0 6 -1 84 287.295 4 ↓

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