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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(4-pentoxyphenyl)methyl]piperidine-2,6-dione 3-[(4-pentoxyphenyl)methyl]piper…

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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) 3.32 -0.24 -11.73 1 4 0 55 289.375 7 ↓

Analogs

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Popular Name: 3-[(4-pentoxyphenyl)methyl]piperidine-2,6-dione 3-[(4-pentoxyphenyl)methyl]piper…

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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) 3.32 -0.24 -12.49 1 4 0 55 289.375 7 ↓

Analogs

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Popular Name: (3S)-3-(o-tolylmethyl)piperidine-2,6-dione (3S)-3-(o-tolylmethyl)piperidine…

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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 4.92 -11.18 1 3 0 46 217.268 2 ↓

Analogs

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Popular Name: (3R)-3-(o-tolylmethyl)piperidine-2,6-dione (3R)-3-(o-tolylmethyl)piperidine…

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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 4.86 -11.46 1 3 0 46 217.268 2 ↓

Analogs

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Popular Name: (3S)-3-(m-tolylmethyl)piperidine-2,6-dione (3S)-3-(m-tolylmethyl)piperidine…

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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) 1.74 5.14 -10.55 1 3 0 46 217.268 2 ↓

Analogs

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Popular Name: (3R)-3-(m-tolylmethyl)piperidine-2,6-dione (3R)-3-(m-tolylmethyl)piperidine…

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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) 1.74 5.14 -10.68 1 3 0 46 217.268 2 ↓

Analogs

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Popular Name: (3S)-3-(p-tolylmethyl)piperidine-2,6-dione (3S)-3-(p-tolylmethyl)piperidine…

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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) 1.76 5.15 -10.69 1 3 0 46 217.268 2 ↓

Analogs

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Popular Name: (3R)-3-(p-tolylmethyl)piperidine-2,6-dione (3R)-3-(p-tolylmethyl)piperidine…

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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) 1.76 5.15 -10.68 1 3 0 46 217.268 2 ↓

Analogs

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Popular Name: (3S)-3-[(2-fluorophenyl)methyl]piperidine-2,6-dione (3S)-3-[(2-fluorophenyl)methyl]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) 1.43 4.49 -8.51 1 3 0 46 221.231 2 ↓

Analogs

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Popular Name: (3R)-3-[(2-fluorophenyl)methyl]piperidine-2,6-dione (3R)-3-[(2-fluorophenyl)methyl]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) 1.43 4.42 -10.24 1 3 0 46 221.231 2 ↓

Analogs

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Popular Name: (3S)-3-[(4-ethylphenyl)methyl]piperidine-2,6-dione (3S)-3-[(4-ethylphenyl)methyl]pi…

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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) 2.23 5.91 -10.51 1 3 0 46 231.295 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-ethylphenyl)methyl]piperidine-2,6-dione (3R)-3-[(4-ethylphenyl)methyl]pi…

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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) 2.23 5.91 -10.51 1 3 0 46 231.295 3 ↓

Analogs

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Popular Name: (3S)-3-[(2,5-dimethylphenyl)methyl]piperidine-2,6-dione (3S)-3-[(2,5-dimethylphenyl)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) 2.14 5.65 -11.18 1 3 0 46 231.295 2 ↓

Analogs

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Popular Name: (3R)-3-[(2,5-dimethylphenyl)methyl]piperidine-2,6-dione (3R)-3-[(2,5-dimethylphenyl)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) 2.14 5.51 -8.1 1 3 0 46 231.295 2 ↓

Analogs

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Popular Name: (3S)-3-[(2-methoxyphenyl)methyl]piperidine-2,6-dione (3S)-3-[(2-methoxyphenyl)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) 1.32 3.81 -9.6 1 4 0 55 233.267 3 ↓

Analogs

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Popular Name: (3R)-3-[(2-methoxyphenyl)methyl]piperidine-2,6-dione (3R)-3-[(2-methoxyphenyl)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) 1.32 3.74 -9.8 1 4 0 55 233.267 3 ↓

Analogs

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Popular Name: (3S)-3-[(3-methoxyphenyl)methyl]piperidine-2,6-dione (3S)-3-[(3-methoxyphenyl)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) 1.35 3.77 -13.71 1 4 0 55 233.267 3 ↓

Analogs

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Popular Name: (3R)-3-[(3-methoxyphenyl)methyl]piperidine-2,6-dione (3R)-3-[(3-methoxyphenyl)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) 1.35 3.77 -11.15 1 4 0 55 233.267 3 ↓

Analogs

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Popular Name: (3S)-3-[(2-chlorophenyl)methyl]piperidine-2,6-dione (3S)-3-[(2-chlorophenyl)methyl]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) 1.95 4.87 -8.18 1 3 0 46 237.686 2 ↓

Analogs

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Popular Name: (3R)-3-[(2-chlorophenyl)methyl]piperidine-2,6-dione (3R)-3-[(2-chlorophenyl)methyl]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) 1.95 4.76 -9.35 1 3 0 46 237.686 2 ↓

Analogs

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Popular Name: (3S)-3-[(3-chlorophenyl)methyl]piperidine-2,6-dione (3S)-3-[(3-chlorophenyl)methyl]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) 1.97 4.98 -12.39 1 3 0 46 237.686 2 ↓

Analogs

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Popular Name: (3R)-3-[(3-chlorophenyl)methyl]piperidine-2,6-dione (3R)-3-[(3-chlorophenyl)methyl]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) 1.97 4.98 -9.98 1 3 0 46 237.686 2 ↓

Analogs

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Popular Name: (3S)-3-[(4-isopropylphenyl)methyl]piperidine-2,6-dione (3S)-3-[(4-isopropylphenyl)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) 2.83 6.4 -10.45 1 3 0 46 245.322 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-isopropylphenyl)methyl]piperidine-2,6-dione (3R)-3-[(4-isopropylphenyl)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) 2.83 6.4 -10.32 1 3 0 46 245.322 3 ↓

Analogs

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Popular Name: (3S)-3-[(2,4,6-trimethylphenyl)methyl]piperidine-2,6-dione (3S)-3-[(2,4,6-trimethylphenyl)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) 2.52 6.04 -11.1 1 3 0 46 245.322 2 ↓

Analogs

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Popular Name: (3R)-3-[(2,4,6-trimethylphenyl)methyl]piperidine-2,6-dione (3R)-3-[(2,4,6-trimethylphenyl)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) 2.52 6.03 -10.93 1 3 0 46 245.322 2 ↓

Analogs

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Popular Name: (3S)-3-[(2-methoxy-5-methyl-phenyl)methyl]piperidine-2,6-dione (3S)-3-[(2-methoxy-5-methyl-phen…

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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 4.48 -9.62 1 4 0 55 247.294 3 ↓

Analogs

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Popular Name: (3R)-3-[(2-methoxy-5-methyl-phenyl)methyl]piperidine-2,6-dione (3R)-3-[(2-methoxy-5-methyl-phen…

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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 4.4 -9.59 1 4 0 55 247.294 3 ↓

Analogs

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Popular Name: (3S)-3-[(3-fluoro-4-methoxy-phenyl)methyl]piperidine-2,6-dione (3S)-3-[(3-fluoro-4-methoxy-phen…

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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) 1.47 3.84 -17.27 1 4 0 55 251.257 3 ↓

Analogs

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Popular Name: (3R)-3-[(3-fluoro-4-methoxy-phenyl)methyl]piperidine-2,6-dione (3R)-3-[(3-fluoro-4-methoxy-phen…

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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) 1.47 3.84 -13.25 1 4 0 55 251.257 3 ↓

Analogs

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Popular Name: (3S)-3-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-2,6-dione (3S)-3-[(2-chloro-6-fluoro-pheny…

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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) 2.06 4.89 -10.04 1 3 0 46 255.676 2 ↓

Analogs

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Popular Name: (3R)-3-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-2,6-dione (3R)-3-[(2-chloro-6-fluoro-pheny…

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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) 2.06 4.66 -9.07 1 3 0 46 255.676 2 ↓

Analogs

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Popular Name: (3S)-3-[(4-tert-butylphenyl)methyl]piperidine-2,6-dione (3S)-3-[(4-tert-butylphenyl)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) 3.02 6.79 -10.3 1 3 0 46 259.349 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-tert-butylphenyl)methyl]piperidine-2,6-dione (3R)-3-[(4-tert-butylphenyl)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) 3.02 6.79 -10.28 1 3 0 46 259.349 3 ↓

Analogs

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Popular Name: (3S)-3-[(5-chloro-2-methoxy-phenyl)methyl]piperidine-2,6-dione (3S)-3-[(5-chloro-2-methoxy-phen…

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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) 1.98 4.32 -10.45 1 4 0 55 267.712 3 ↓

Analogs

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Popular Name: (3R)-3-[(5-chloro-2-methoxy-phenyl)methyl]piperidine-2,6-dione (3R)-3-[(5-chloro-2-methoxy-phen…

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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) 1.98 4.24 -9.34 1 4 0 55 267.712 3 ↓

Analogs

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Popular Name: (3S)-3-[(3-bromophenyl)methyl]piperidine-2,6-dione (3S)-3-[(3-bromophenyl)methyl]pi…

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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 5.08 -12.26 1 3 0 46 282.137 2 ↓

Analogs

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Popular Name: (3R)-3-[(3-bromophenyl)methyl]piperidine-2,6-dione (3R)-3-[(3-bromophenyl)methyl]pi…

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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 5.08 -9.87 1 3 0 46 282.137 2 ↓

Analogs

2986326
2986326

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Popular Name: (3R)-3-(4-ethoxybenzyl)piperidine-2,6-quinone (3R)-3-(4-ethoxybenzyl)piperidin…

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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 4.69 -12.11 1 4 0 55 247.294 4 ↓

Analogs

2986325
2986325

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Popular Name: (3S)-3-(4-ethoxybenzyl)piperidine-2,6-quinone (3S)-3-(4-ethoxybenzyl)piperidin…

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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 4.69 -12.85 1 4 0 55 247.294 4 ↓

Parameters Provided:

ring.id = 3529
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 3529 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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