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Analogs

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Popular Name: (2,4-dimethylphenyl)-[(2S)-2-piperidyl]methanone (2,4-dimethylphenyl)-[(2S)-2-pip…

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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) 2.96 6.08 -5.63 1 2 0 29 217.312 2 ↓
Mid Mid (pH 6-8) 2.96 7.33 -36.84 2 2 1 34 218.32 2 ↓

Analogs

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Popular Name: (2,4-dimethylphenyl)-[(2R)-2-piperidyl]methanone (2,4-dimethylphenyl)-[(2R)-2-pip…

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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) 2.96 6.02 -5.2 1 2 0 29 217.312 2 ↓
Mid Mid (pH 6-8) 2.96 7.28 -36.77 2 2 1 34 218.32 2 ↓

Analogs

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Popular Name: (3,4-difluorophenyl)-[(2S)-2-piperidyl]methanone (3,4-difluorophenyl)-[(2S)-2-pip…

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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) 2.40 4.81 -5.3 1 2 0 29 225.238 2 ↓
Mid Mid (pH 6-8) 2.40 6.06 -41.23 2 2 1 34 226.246 2 ↓

Analogs

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Popular Name: (3,4-difluorophenyl)-[(2R)-2-piperidyl]methanone (3,4-difluorophenyl)-[(2R)-2-pip…

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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) 2.40 4.81 -4.88 1 2 0 29 225.238 2 ↓
Mid Mid (pH 6-8) 2.40 6.08 -41.34 2 2 1 34 226.246 2 ↓

Analogs

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Popular Name: (4-ethoxyphenyl)-[(2S)-2-piperidyl]methanone (4-ethoxyphenyl)-[(2S)-2-piperid…

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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) 2.57 4.93 -6.72 1 3 0 38 233.311 4 ↓
Mid Mid (pH 6-8) 2.57 6.18 -38.2 2 3 1 43 234.319 4 ↓

Analogs

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Popular Name: (4-ethoxyphenyl)-[(2R)-2-piperidyl]methanone (4-ethoxyphenyl)-[(2R)-2-piperid…

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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) 2.57 4.93 -6.24 1 3 0 38 233.311 4 ↓
Mid Mid (pH 6-8) 2.57 6.2 -38.38 2 3 1 43 234.319 4 ↓

Analogs

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Popular Name: (4-isopropoxyphenyl)-[(2S)-2-piperidyl]methanone (4-isopropoxyphenyl)-[(2S)-2-pip…

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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) 2.94 5.56 -7.28 1 3 0 38 247.338 4 ↓
Mid Mid (pH 6-8) 2.94 6.8 -38 2 3 1 43 248.346 4 ↓

Analogs

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Popular Name: (4-isopropoxyphenyl)-[(2R)-2-piperidyl]methanone (4-isopropoxyphenyl)-[(2R)-2-pip…

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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) 2.94 5.55 -6.72 1 3 0 38 247.338 4 ↓
Mid Mid (pH 6-8) 2.94 6.82 -38.24 2 3 1 43 248.346 4 ↓

Analogs

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Popular Name: 2-Benzoylpiperidine hydrochloride 2-Benzoylpiperidine hydrochloride

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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 4.7 -6.67 1 2 0 29 189.258 2 ↓

Analogs

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Popular Name: 2-Benzoylpiperidine hydrochloride 2-Benzoylpiperidine hydrochloride

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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 4.68 -6.12 1 2 0 29 189.258 2 ↓

Analogs

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Popular Name: [(2S)-2-piperidyl]-(p-tolyl)methanone [(2S)-2-piperidyl]-(p-tolyl)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) 2.59 5.38 -6.57 1 2 0 29 203.285 2 ↓

Analogs

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Popular Name: [(2R)-2-piperidyl]-(p-tolyl)methanone [(2R)-2-piperidyl]-(p-tolyl)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) 2.59 5.36 -5.99 1 2 0 29 203.285 2 ↓

Analogs

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Popular Name: (4-ethylphenyl)-[(2S)-2-piperidyl]methanone (4-ethylphenyl)-[(2S)-2-piperidy…

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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) 3.06 6.15 -6.24 1 2 0 29 217.312 3 ↓

Analogs

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Popular Name: (4-ethylphenyl)-[(2R)-2-piperidyl]methanone (4-ethylphenyl)-[(2R)-2-piperidy…

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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) 3.06 6.13 -5.79 1 2 0 29 217.312 3 ↓

Analogs

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Popular Name: (4-isopropylphenyl)-[(2S)-2-piperidyl]methanone (4-isopropylphenyl)-[(2S)-2-pipe…

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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) 3.65 6.62 -6.11 1 2 0 29 231.339 3 ↓

Analogs

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Popular Name: (4-isopropylphenyl)-[(2R)-2-piperidyl]methanone (4-isopropylphenyl)-[(2R)-2-pipe…

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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) 3.65 6.6 -5.6 1 2 0 29 231.339 3 ↓

Analogs

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Popular Name: (4-tert-butylphenyl)-[(2S)-2-piperidyl]methanone (4-tert-butylphenyl)-[(2S)-2-pip…

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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) 3.85 7.02 -6.09 1 2 0 29 245.366 3 ↓

Analogs

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Popular Name: (4-tert-butylphenyl)-[(2R)-2-piperidyl]methanone (4-tert-butylphenyl)-[(2R)-2-pip…

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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) 3.85 7.01 -5.55 1 2 0 29 245.366 3 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-[(2S)-2-piperidyl]methanone (3,4-dimethylphenyl)-[(2S)-2-pip…

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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) 2.96 5.92 -6.78 1 2 0 29 217.312 2 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-[(2R)-2-piperidyl]methanone (3,4-dimethylphenyl)-[(2R)-2-pip…

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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) 2.96 5.91 -6.27 1 2 0 29 217.312 2 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)-[(2S)-2-piperidyl]methanone (2,5-dimethylphenyl)-[(2S)-2-pip…

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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) 2.96 6.04 -5.51 1 2 0 29 217.312 2 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)-[(2R)-2-piperidyl]methanone (2,5-dimethylphenyl)-[(2R)-2-pip…

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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) 2.96 6.08 -5.02 1 2 0 29 217.312 2 ↓

Analogs

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Popular Name: 2-[(4-Fluorophenyl)carbonyl]piperidine HCl 2-[(4-Fluorophenyl)carbonyl]pipe…

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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) 2.30 4.76 -6.07 1 2 0 29 207.248 2 ↓

Analogs

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Popular Name: 2-[(4-Fluorophenyl)carbonyl]piperidine HCl 2-[(4-Fluorophenyl)carbonyl]pipe…

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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) 2.30 4.75 -5.58 1 2 0 29 207.248 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[(2S)-2-piperidyl]methanone (4-chlorophenyl)-[(2S)-2-piperid…

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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 5.22 -5.7 1 2 0 29 223.703 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[(2R)-2-piperidyl]methanone (4-chlorophenyl)-[(2R)-2-piperid…

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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 5.21 -5.23 1 2 0 29 223.703 2 ↓

Analogs

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Popular Name: (4-bromophenyl)-[(2S)-2-piperidyl]methanone (4-bromophenyl)-[(2S)-2-piperidy…

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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) 2.95 5.33 -5.64 1 2 0 29 268.154 2 ↓

Analogs

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Popular Name: (4-bromophenyl)-[(2R)-2-piperidyl]methanone (4-bromophenyl)-[(2R)-2-piperidy…

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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) 2.95 5.31 -5.11 1 2 0 29 268.154 2 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-[(2S)-2-piperidyl]methanone (4-methoxyphenyl)-[(2S)-2-piperi…

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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) 2.20 4.01 -7.02 1 3 0 38 219.284 3 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-[(2R)-2-piperidyl]methanone (4-methoxyphenyl)-[(2R)-2-piperi…

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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) 2.20 4 -6.47 1 3 0 38 219.284 3 ↓

Analogs

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Popular Name: (4-fluoro-3-methyl-phenyl)-[(2S)-2-piperidyl]methanone (4-fluoro-3-methyl-phenyl)-[(2S)…

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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) 2.68 5.39 -6.11 1 2 0 29 221.275 2 ↓

Analogs

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Popular Name: (4-fluoro-3-methyl-phenyl)-[(2R)-2-piperidyl]methanone (4-fluoro-3-methyl-phenyl)-[(2R)…

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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) 2.68 5.38 -5.65 1 2 0 29 221.275 2 ↓

Analogs

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Popular Name: (4-methoxy-3-methyl-phenyl)-[(2S)-2-piperidyl]methanone (4-methoxy-3-methyl-phenyl)-[(2S…

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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) 2.57 4.75 -7.6 1 3 0 38 233.311 3 ↓

Analogs

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Popular Name: (4-methoxy-3-methyl-phenyl)-[(2R)-2-piperidyl]methanone (4-methoxy-3-methyl-phenyl)-[(2R…

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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) 2.57 4.74 -7.11 1 3 0 38 233.311 3 ↓

Analogs

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Popular Name: (2-methoxy-5-methyl-phenyl)-[(2S)-2-piperidyl]methanone (2-methoxy-5-methyl-phenyl)-[(2S…

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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) 2.57 5.94 -9.35 1 3 0 38 233.311 3 ↓

Analogs

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Popular Name: (2-methoxy-5-methyl-phenyl)-[(2R)-2-piperidyl]methanone (2-methoxy-5-methyl-phenyl)-[(2R…

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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) 2.57 5.92 -8.79 1 3 0 38 233.311 3 ↓

Analogs

36171636
36171636
36171637
36171637

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Popular Name: (3,4-dimethoxyphenyl)-[(2S)-2-piperidyl]methanone (3,4-dimethoxyphenyl)-[(2S)-2-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) 1.79 3.91 -9.9 1 4 0 48 249.31 4 ↓

Analogs

36171636
36171636
36171637
36171637

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Popular Name: (3,4-dimethoxyphenyl)-[(2R)-2-piperidyl]methanone (3,4-dimethoxyphenyl)-[(2R)-2-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) 1.79 3.9 -9.36 1 4 0 48 249.31 4 ↓

Analogs

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Popular Name: (2,5-dimethoxyphenyl)-[(2S)-2-piperidyl]methanone (2,5-dimethoxyphenyl)-[(2S)-2-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) 2.18 4.55 -9.13 1 4 0 48 249.31 4 ↓

Analogs

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Popular Name: (2,5-dimethoxyphenyl)-[(2R)-2-piperidyl]methanone (2,5-dimethoxyphenyl)-[(2R)-2-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) 2.18 4.54 -8.65 1 4 0 48 249.31 4 ↓

Analogs

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Popular Name: (3,4-dichlorophenyl)-[(2S)-2-piperidyl]methanone (3,4-dichlorophenyl)-[(2S)-2-pip…

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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) 3.42 5.67 -4.48 1 2 0 29 258.148 2 ↓

Analogs

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Popular Name: (3,4-dichlorophenyl)-[(2R)-2-piperidyl]methanone (3,4-dichlorophenyl)-[(2R)-2-pip…

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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) 3.42 5.66 -4.03 1 2 0 29 258.148 2 ↓

Parameters Provided:

ring.id = 27481
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 = 27481 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=27481&filter.purchasability=annotated

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