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Analogs

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Popular Name: 3-amino-1-phenethyl-pyridin-2-one 3-amino-1-phenethyl-pyridin-2-one

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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) 1.56 5.96 -10.4 2 3 0 48 214.268 3 ↓

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]pyridin-2-one 1-[2-(2-aminophenyl)ethyl]pyridi…

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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) 1.56 5.98 -10.9 2 3 0 48 214.268 3 ↓

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]-5-bromo-pyridin-2-one 1-[2-(2-aminophenyl)ethyl]-5-bro…

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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) 2.65 6.58 -7.58 2 3 0 48 293.164 3 ↓

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]-6-methyl-pyridin-2-one 1-[2-(2-aminophenyl)ethyl]-6-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) 1.72 6.41 -13.36 2 3 0 48 228.295 3 ↓

Analogs

5724692
5724692

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Popular Name: 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-6-methyl-pyridin-2-one 3-acetyl-1-[2-(3,4-dimethoxyphen…

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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) 2.09 1.34 -24 1 6 0 78 331.368 6 ↓

Analogs

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Popular Name: 5-bromo-1-[2-(3,4-dihydroxyphenyl)ethyl]-6-keto-nicotin-methyl-ester 5-bromo-1-[2-(3,4-dihydroxypheny…

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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) 2.00 -1.44 -13.88 2 6 0 88 368.183 5 ↓

Analogs

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Popular Name: 1-[2-(4-aminophenyl)ethyl]-3-methyl-pyridin-2-one 1-[2-(4-aminophenyl)ethyl]-3-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 6.58 -13.14 2 3 0 48 228.295 3 ↓

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]-3-methyl-pyridin-2-one 1-[2-(2-aminophenyl)ethyl]-3-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) 1.97 6.66 -13.42 2 3 0 48 228.295 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(4-ethoxyphenyl)-2-(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) 2.52 8.19 -50.74 2 4 1 48 287.383 6 ↓
Hi High (pH 8-9.5) 2.52 6.94 -12.32 1 4 0 43 286.375 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(4-ethoxyphenyl)-2-(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) 2.52 7.83 -46.53 2 4 1 48 287.383 6 ↓
Hi High (pH 8-9.5) 2.52 7.13 -12.19 1 4 0 43 286.375 6 ↓

Analogs

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Popular Name: 3-methyl-1-[(2S)-2-(methylamino)-2-(o-tolyl)ethyl]pyridin-2-one 3-methyl-1-[(2S)-2-(methylamino)…

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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) 2.49 8.36 -48 2 3 1 39 257.357 4 ↓
Hi High (pH 8-9.5) 2.49 7.43 -10.48 1 3 0 34 256.349 4 ↓

Analogs

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Popular Name: 3-methyl-1-[(2R)-2-(methylamino)-2-(o-tolyl)ethyl]pyridin-2-one 3-methyl-1-[(2R)-2-(methylamino)…

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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) 2.49 8.16 -53.26 2 3 1 39 257.357 4 ↓
Hi High (pH 8-9.5) 2.49 7.45 -11.27 1 3 0 34 256.349 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(2,4-dimethylphenyl)-2…

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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) 2.92 9.03 -48.09 2 3 1 39 271.384 4 ↓
Hi High (pH 8-9.5) 2.92 8.1 -10.5 1 3 0 34 270.376 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(2,4-dimethylphenyl)-2…

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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) 2.92 8.82 -53.14 2 3 1 39 271.384 4 ↓
Hi High (pH 8-9.5) 2.92 8.12 -11.31 1 3 0 34 270.376 4 ↓

Analogs

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Popular Name: 3-methyl-1-[(2R)-2-(methylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridin-2-one 3-methyl-1-[(2R)-2-(methylamino)…

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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) 3.29 9.79 -44.15 2 3 1 39 285.411 4 ↓
Hi High (pH 8-9.5) 3.29 9.41 -10.29 1 3 0 34 284.403 4 ↓

Analogs

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Popular Name: 3-methyl-1-[(2S)-2-(methylamino)-2-(2,4,6-trimethylphenyl)ethyl]pyridin-2-one 3-methyl-1-[(2S)-2-(methylamino)…

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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) 3.29 9.85 -32.67 2 3 1 39 285.411 4 ↓
Hi High (pH 8-9.5) 3.29 9.53 -9.99 1 3 0 34 284.403 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(2,5-dimethylphenyl)-2…

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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) 2.92 9.09 -47.82 2 3 1 39 271.384 4 ↓
Hi High (pH 8-9.5) 2.92 8.19 -10.41 1 3 0 34 270.376 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(2,5-dimethylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(2,5-dimethylphenyl)-2…

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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) 2.92 8.78 -53.29 2 3 1 39 271.384 4 ↓
Hi High (pH 8-9.5) 2.92 8.06 -11.21 1 3 0 34 270.376 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(2-ethoxyphenyl)-2-(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) 2.48 8.19 -49.22 2 4 1 48 287.383 6 ↓
Hi High (pH 8-9.5) 2.48 7.32 -13.81 1 4 0 43 286.375 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(2-ethoxyphenyl)-2-(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) 2.48 7.98 -50.46 2 4 1 48 287.383 6 ↓
Hi High (pH 8-9.5) 2.48 7.23 -10.05 1 4 0 43 286.375 6 ↓

Analogs

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Popular Name: 3-methyl-1-[(2S)-2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one 3-methyl-1-[(2S)-2-(methylamino)…

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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) 3.40 10.18 -48.92 2 3 1 39 285.411 6 ↓
Hi High (pH 8-9.5) 3.40 8.94 -11.46 1 3 0 34 284.403 6 ↓

Analogs

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Popular Name: 3-methyl-1-[(2R)-2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one 3-methyl-1-[(2R)-2-(methylamino)…

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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) 3.40 9.83 -44.97 2 3 1 39 285.411 6 ↓
Hi High (pH 8-9.5) 3.40 9.14 -10.32 1 3 0 34 284.403 6 ↓

Analogs

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Popular Name: 1-[(2S)-2-(2-methoxy-5-methyl-phenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(2-methoxy-5-methyl-ph…

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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) 2.53 7.94 -49.16 2 4 1 48 287.383 5 ↓
Hi High (pH 8-9.5) 2.53 7.06 -13.75 1 4 0 43 286.375 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-(2-methoxy-5-methyl-phenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(2-methoxy-5-methyl-ph…

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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) 2.53 7.72 -50.83 2 4 1 48 287.383 5 ↓
Hi High (pH 8-9.5) 2.53 6.96 -10.39 1 4 0 43 286.375 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(3,4-dimethylphenyl)-2…

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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) 2.92 8.81 -52.15 2 3 1 39 271.384 4 ↓
Hi High (pH 8-9.5) 2.92 7.96 -12.17 1 3 0 34 270.376 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(3,4-dimethylphenyl)-2…

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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) 2.92 9.44 -35.51 2 3 1 39 271.384 4 ↓
Hi High (pH 8-9.5) 2.92 8.02 -11.03 1 3 0 34 270.376 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(4-ethylphenyl)-2-(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) 3.01 9.4 -48.92 2 3 1 39 271.384 5 ↓
Hi High (pH 8-9.5) 3.01 8.17 -11.54 1 3 0 34 270.376 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(4-ethylphenyl)-2-(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) 3.01 9.05 -44.85 2 3 1 39 271.384 5 ↓
Hi High (pH 8-9.5) 3.01 8.36 -10.45 1 3 0 34 270.376 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-(4-isopropylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(4-isopropylphenyl)-2-…

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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) 3.60 9.53 -52.16 2 3 1 39 285.411 5 ↓
Hi High (pH 8-9.5) 3.60 8.68 -11.72 1 3 0 34 284.403 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(4-isopropylphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(4-isopropylphenyl)-2-…

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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) 3.60 10.17 -35.78 2 3 1 39 285.411 5 ↓
Hi High (pH 8-9.5) 3.60 8.74 -10.68 1 3 0 34 284.403 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-(ethylamino)-2-phenyl-ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(ethylamino)-2-phenyl-…

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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) 2.47 8.44 -42.52 2 3 1 39 257.357 5 ↓
Hi High (pH 8-9.5) 2.47 7.76 -10.8 1 3 0 34 256.349 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(ethylamino)-2-phenyl-ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(ethylamino)-2-phenyl-…

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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) 2.47 8.8 -46.22 2 3 1 39 257.357 5 ↓
Hi High (pH 8-9.5) 2.47 7.7 -11.9 1 3 0 34 256.349 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-(ethylamino)-2-(p-tolyl)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(ethylamino)-2-(p-toly…

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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) 2.92 9.11 -42.58 2 3 1 39 271.384 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(ethylamino)-2-(p-tolyl)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(ethylamino)-2-(p-toly…

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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) 2.92 9.47 -46.36 2 3 1 39 271.384 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-(ethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(ethylamino)-2-(2-meth…

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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) 2.48 7.87 -47.61 2 4 1 48 287.383 6 ↓
Hi High (pH 8-9.5) 2.48 7.37 -10.22 1 4 0 43 286.375 6 ↓

Analogs

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Popular Name: 1-[(2S)-2-(ethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(ethylamino)-2-(2-meth…

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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) 2.48 8.1 -46.69 2 4 1 48 287.383 6 ↓
Hi High (pH 8-9.5) 2.48 7.11 -14.47 1 4 0 43 286.375 6 ↓

Analogs

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Popular Name: 3-methyl-1-[(2R)-2-(methylamino)-2-phenyl-ethyl]pyridin-2-one 3-methyl-1-[(2R)-2-(methylamino)…

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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) 2.09 7.6 -52.61 2 3 1 39 243.33 4 ↓
Hi High (pH 8-9.5) 2.09 6.75 -12.01 1 3 0 34 242.322 4 ↓

Analogs

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Popular Name: 3-methyl-1-[(2S)-2-(methylamino)-2-phenyl-ethyl]pyridin-2-one 3-methyl-1-[(2S)-2-(methylamino)…

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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) 2.09 8.24 -35.61 2 3 1 39 243.33 4 ↓
Hi High (pH 8-9.5) 2.09 6.81 -10.88 1 3 0 34 242.322 4 ↓

Analogs

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Popular Name: 3-methyl-1-[(2S)-2-(methylamino)-2-(p-tolyl)ethyl]pyridin-2-one 3-methyl-1-[(2S)-2-(methylamino)…

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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) 2.54 8.64 -48.79 2 3 1 39 257.357 4 ↓
Hi High (pH 8-9.5) 2.54 7.4 -11.74 1 3 0 34 256.349 4 ↓

Analogs

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Popular Name: 3-methyl-1-[(2R)-2-(methylamino)-2-(p-tolyl)ethyl]pyridin-2-one 3-methyl-1-[(2R)-2-(methylamino)…

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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) 2.54 8.28 -44.71 2 3 1 39 257.357 4 ↓
Hi High (pH 8-9.5) 2.54 7.59 -10.61 1 3 0 34 256.349 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(2-methoxyphenyl)-2-(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) 2.10 7.45 -51.58 2 4 1 48 273.356 5 ↓
Hi High (pH 8-9.5) 2.10 6.25 -14.39 1 4 0 43 272.348 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(2-methoxyphenyl)-2-(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) 2.10 7.54 -32.02 2 4 1 48 273.356 5 ↓
Hi High (pH 8-9.5) 2.10 6.47 -10.37 1 4 0 43 272.348 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(4-methoxyphenyl)-2-(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) 2.15 6.9 -55.69 2 4 1 48 273.356 5 ↓
Hi High (pH 8-9.5) 2.15 6.04 -12.87 1 4 0 43 272.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(4-methoxyphenyl)-2-(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) 2.15 7.54 -38.68 2 4 1 48 273.356 5 ↓
Hi High (pH 8-9.5) 2.15 6.11 -12.6 1 4 0 43 272.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(3-methoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-(3-methoxyphenyl)-2-(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) 2.12 6.9 -54.67 2 4 1 48 273.356 5 ↓
Hi High (pH 8-9.5) 2.12 6.04 -15.06 1 4 0 43 272.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(3-methoxyphenyl)-2-(methylamino)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-(3-methoxyphenyl)-2-(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) 2.12 7.53 -36.2 2 4 1 48 273.356 5 ↓
Hi High (pH 8-9.5) 2.12 6.11 -11.01 1 4 0 43 272.348 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-amino-2-(2,4,6-trimeth…

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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) 1.04 8.06 -50.92 3 3 1 50 271.384 3 ↓
Hi High (pH 8-9.5) 1.04 7.71 -12.36 2 3 0 48 270.376 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-amino-2-(2,4,6-trimeth…

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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) 1.04 8.07 -40.44 3 3 1 50 271.384 3 ↓
Hi High (pH 8-9.5) 1.04 7.81 -11.74 2 3 0 48 270.376 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-(4-ethylphenyl)ethyl]-3-methyl-pyridin-2-one 1-[(2S)-2-amino-2-(4-ethylphenyl…

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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) 0.75 7.62 -55.07 3 3 1 50 257.357 4 ↓
Hi High (pH 8-9.5) 0.75 7.31 -12.57 2 3 0 48 256.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-amino-2-(4-ethylphenyl)ethyl]-3-methyl-pyridin-2-one 1-[(2R)-2-amino-2-(4-ethylphenyl…

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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) 0.75 7.83 -40.07 3 3 1 50 257.357 4 ↓
Hi High (pH 8-9.5) 0.75 7.48 -10.24 2 3 0 48 256.349 4 ↓

Parameters Provided:

ring.id = 7442
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 = 7442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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