UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-methyl-3-nitro-phenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (4-methyl-3-nitro-phenyl)-[4-(mo…

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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) 1.89 7.13 -15.24 0 7 0 79 347.415 4 ↓
Mid Mid (pH 6-8) 1.89 9.13 -56.7 1 7 1 80 348.423 4 ↓

Analogs

32153530
32153530
32205684
32205684

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Popular Name: [4-(morpholinomethyl)-1-piperidyl]-phenyl-methanone [4-(morpholinomethyl)-1-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) 1.55 5.84 -9.44 0 4 0 33 288.391 3 ↓
Mid Mid (pH 6-8) 1.55 7.83 -47.62 1 4 1 34 289.399 3 ↓

Analogs

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Popular Name: [4-(morpholinomethyl)-1-piperidyl]-(o-tolyl)methanone [4-(morpholinomethyl)-1-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) 1.95 6.44 -9.24 0 4 0 33 302.418 3 ↓
Mid Mid (pH 6-8) 1.95 8.44 -45.33 1 4 1 34 303.426 3 ↓

Analogs

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Popular Name: [4-(morpholinomethyl)-1-piperidyl]-(m-tolyl)methanone [4-(morpholinomethyl)-1-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) 1.98 6.5 -9.55 0 4 0 33 302.418 3 ↓
Mid Mid (pH 6-8) 1.98 8.5 -47.69 1 4 1 34 303.426 3 ↓

Analogs

32153530
32153530
32205684
32205684

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Popular Name: [4-(morpholinomethyl)-1-piperidyl]-(p-tolyl)methanone [4-(morpholinomethyl)-1-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) 2.00 6.51 -9.27 0 4 0 33 302.418 3 ↓
Mid Mid (pH 6-8) 2.00 8.51 -47.46 1 4 1 34 303.426 3 ↓

Analogs

32214606
32214606

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Popular Name: (2-fluorophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (2-fluorophenyl)-[4-(morpholinom…

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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) 1.67 5.96 -12.84 0 4 0 33 306.381 3 ↓
Mid Mid (pH 6-8) 1.67 7.96 -50.55 1 4 1 34 307.389 3 ↓

Analogs

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Popular Name: (3-fluorophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (3-fluorophenyl)-[4-(morpholinom…

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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) 1.69 5.91 -8 0 4 0 33 306.381 3 ↓
Mid Mid (pH 6-8) 1.69 7.9 -45.94 1 4 1 34 307.389 3 ↓

Analogs

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Popular Name: (4-fluorophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (4-fluorophenyl)-[4-(morpholinom…

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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 5.91 -8.58 0 4 0 33 306.381 3 ↓
Mid Mid (pH 6-8) 1.72 7.9 -47.93 1 4 1 34 307.389 3 ↓

Analogs

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Popular Name: (2-bromophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (2-bromophenyl)-[4-(morpholinome…

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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) 2.31 6.47 -10.32 0 4 0 33 367.287 3 ↓
Mid Mid (pH 6-8) 2.31 8.47 -47.76 1 4 1 34 368.295 3 ↓

Analogs

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Popular Name: (3-bromophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (3-bromophenyl)-[4-(morpholinome…

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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) 2.34 6.45 -10.05 0 4 0 33 367.287 3 ↓
Mid Mid (pH 6-8) 2.34 8.45 -49.35 1 4 1 34 368.295 3 ↓

Analogs

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Popular Name: (4-bromophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (4-bromophenyl)-[4-(morpholinome…

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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) 2.36 6.46 -8.19 0 4 0 33 367.287 3 ↓
Mid Mid (pH 6-8) 2.36 8.46 -47.41 1 4 1 34 368.295 3 ↓

Analogs

32198704
32198704
32205661
32205661

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Popular Name: (2-methoxyphenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (2-methoxyphenyl)-[4-(morpholino…

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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 5.5 -12.46 0 5 0 42 318.417 4 ↓
Mid Mid (pH 6-8) 2.11 7.5 -49.43 1 5 1 43 319.425 4 ↓

Analogs

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Popular Name: (3-methoxyphenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (3-methoxyphenyl)-[4-(morpholino…

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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 5.15 -9.25 0 5 0 42 318.417 4 ↓
Mid Mid (pH 6-8) 1.59 7.13 -46.5 1 5 1 43 319.425 4 ↓

Analogs

32153521
32153521
32198712
32198712
32205652
32205652
32205668
32205668

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Popular Name: (4-methoxyphenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (4-methoxyphenyl)-[4-(morpholino…

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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 5.15 -10.12 0 5 0 42 318.417 4 ↓
Mid Mid (pH 6-8) 1.61 7.1 -48.46 1 5 1 43 319.425 4 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (3,5-dimethoxyphenyl)-[4-(morpho…

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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) 1.60 4.45 -11.26 0 6 0 51 348.443 5 ↓
Mid Mid (pH 6-8) 1.60 6.39 -48.93 1 6 1 52 349.451 5 ↓

Analogs

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Popular Name: (3,4-dimethoxyphenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (3,4-dimethoxyphenyl)-[4-(morpho…

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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) 1.20 5.08 -12.24 0 6 0 51 348.443 5 ↓
Mid Mid (pH 6-8) 1.20 7.07 -51.61 1 6 1 52 349.451 5 ↓

Analogs

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Popular Name: [4-(morpholinomethyl)-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanone [4-(morpholinomethyl)-1-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) 1.19 4.98 -11.88 0 7 0 60 378.469 6 ↓
Mid Mid (pH 6-8) 1.19 6.98 -51.95 1 7 1 62 379.477 6 ↓

Analogs

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Popular Name: (2-chlorophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (2-chlorophenyl)-[4-(morpholinom…

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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 6.37 -10.7 0 4 0 33 322.836 3 ↓
Mid Mid (pH 6-8) 2.18 8.37 -48.12 1 4 1 34 323.844 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (3-chlorophenyl)-[4-(morpholinom…

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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) 2.21 6.35 -10.12 0 4 0 33 322.836 3 ↓
Mid Mid (pH 6-8) 2.21 8.34 -49.37 1 4 1 34 323.844 3 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (4-chlorophenyl)-[4-(morpholinom…

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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 6.35 -8.29 0 4 0 33 322.836 3 ↓
Mid Mid (pH 6-8) 2.23 8.36 -47.45 1 4 1 34 323.844 3 ↓

Analogs

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Popular Name: (3,4-difluorophenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (3,4-difluorophenyl)-[4-(morphol…

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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) 1.81 5.96 -8.08 0 4 0 33 324.371 3 ↓
Mid Mid (pH 6-8) 1.81 7.91 -47.15 1 4 1 34 325.379 3 ↓

Analogs

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Popular Name: (2-hydroxy-5-isopropyl-phenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (2-hydroxy-5-isopropyl-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) 3.53 5.17 -11.73 1 5 0 53 346.471 4 ↓
Mid Mid (pH 6-8) 3.53 7.16 -48.86 2 5 1 54 347.479 4 ↓

Analogs

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Popular Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(2-fluorophenyl)methanone [4-[[(2S,6R)-2,6-dimethylmorphol…

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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 7.42 -12.83 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.40 9.41 -51.48 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(2-fluorophenyl)methanone [4-[[(2S,6S)-2,6-dimethylmorphol…

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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 7.7 -12.66 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.40 9.36 -50.66 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(2-fluorophenyl)methanone [4-[[(2R,6R)-2,6-dimethylmorphol…

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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 7.78 -12.8 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.40 9.41 -48.76 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(4-fluorophenyl)methanone [4-[[(2S,6R)-2,6-dimethylmorphol…

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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) 2.44 7.42 -8.33 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.44 9.42 -48.23 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(4-fluorophenyl)methanone [4-[[(2S,6S)-2,6-dimethylmorphol…

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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) 2.44 7.71 -8.31 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.44 9.37 -47.46 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(4-fluorophenyl)methanone [4-[[(2R,6R)-2,6-dimethylmorphol…

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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) 2.44 7.73 -8.5 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.44 9.32 -46.83 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(3-fluorophenyl)methanone [4-[[(2S,6R)-2,6-dimethylmorphol…

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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) 2.42 7.42 -10.45 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.42 9.42 -50.29 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(3-fluorophenyl)methanone [4-[[(2S,6S)-2,6-dimethylmorphol…

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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) 2.42 7.71 -10.38 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.42 9.37 -49.42 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(3-fluorophenyl)methanone [4-[[(2R,6R)-2,6-dimethylmorphol…

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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) 2.42 7.73 -10.99 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.42 9.31 -49.17 1 4 1 34 335.443 3 ↓

Analogs

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Popular Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(2-hydroxyphenyl)methanone [4-[[(2S,6R)-2,6-dimethylmorphol…

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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) 2.77 4.78 -12.09 1 5 0 53 332.444 3 ↓
Hi High (pH 8-9.5) 2.77 5.63 -56.28 0 5 -1 56 331.436 3 ↓
Mid Mid (pH 6-8) 2.77 6.78 -51.61 2 5 1 54 333.452 3 ↓

Analogs

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Popular Name: [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(2-hydroxyphenyl)methanone [4-[[(2S,6S)-2,6-dimethylmorphol…

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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) 2.77 5.23 -12.34 1 5 0 53 332.444 3 ↓
Hi High (pH 8-9.5) 2.77 5.94 -55.99 0 5 -1 56 331.436 3 ↓
Mid Mid (pH 6-8) 2.77 6.86 -50.39 2 5 1 54 333.452 3 ↓

Analogs

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Popular Name: [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(2-hydroxyphenyl)methanone [4-[[(2R,6R)-2,6-dimethylmorphol…

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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) 2.77 5.48 -11.92 1 5 0 53 332.444 3 ↓
Hi High (pH 8-9.5) 2.77 5.83 -56.24 0 5 -1 56 331.436 3 ↓
Mid Mid (pH 6-8) 2.77 6.86 -48.93 2 5 1 54 333.452 3 ↓

Analogs

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Popular Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(p-tolyl)methanone [4-[[(2S,6R)-2,6-dimethylmorphol…

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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) 2.73 8.05 -9.35 0 4 0 33 330.472 3 ↓
Mid Mid (pH 6-8) 2.73 9.97 -46.86 1 4 1 34 331.48 3 ↓

Analogs

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Popular Name: [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(p-tolyl)methanone [4-[[(2R,6R)-2,6-dimethylmorphol…

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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) 2.73 8.33 -9.26 0 4 0 33 330.472 3 ↓
Mid Mid (pH 6-8) 2.73 9.94 -46.24 1 4 1 34 331.48 3 ↓

Analogs

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Popular Name: [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(p-tolyl)methanone [4-[[(2S,6S)-2,6-dimethylmorphol…

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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) 2.73 8.3 -9.64 0 4 0 33 330.472 3 ↓
Mid Mid (pH 6-8) 2.73 9.91 -47.82 1 4 1 34 331.48 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(4-methoxyphenyl)methanone [4-[[(2S,6R)-2,6-dimethylmorphol…

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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) 2.34 6.66 -9.34 0 5 0 42 346.471 4 ↓
Mid Mid (pH 6-8) 2.34 8.66 -48.25 1 5 1 43 347.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(4-methoxyphenyl)methanone [4-[[(2S,6S)-2,6-dimethylmorphol…

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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) 2.34 6.95 -9.21 0 5 0 42 346.471 4 ↓
Mid Mid (pH 6-8) 2.34 8.6 -47.45 1 5 1 43 347.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-piperidyl]-(4-methoxyphenyl)methanone [4-[[(2R,6R)-2,6-dimethylmorphol…

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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) 2.34 6.97 -9.51 0 5 0 42 346.471 4 ↓
Mid Mid (pH 6-8) 2.34 8.56 -46.82 1 5 1 43 347.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluoro-3-methyl-phenyl)-[4-[(1R)-1-morpholinoethyl]-1-piperidyl]methanone (4-fluoro-3-methyl-phenyl)-[4-[(…

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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) 2.42 6.97 -8.67 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.42 8.74 -44.78 1 4 1 34 335.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluoro-3-methyl-phenyl)-[4-[(1S)-1-morpholinoethyl]-1-piperidyl]methanone (4-fluoro-3-methyl-phenyl)-[4-[(…

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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) 2.42 7.01 -9.23 0 4 0 33 334.435 3 ↓
Mid Mid (pH 6-8) 2.42 8.69 -46.82 1 4 1 34 335.443 3 ↓

Parameters Provided:

ring.id = 19881
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 = 19881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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