UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23360602
23360602

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-3-[(3R)-3-morpholino-1-piperidyl]propan-1-ol 2,2-dimethyl-3-[(3R)-3-morpholin…

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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) 1.14 2.05 -37.15 2 4 1 37 257.398 4 ↓
Lo Low (pH 4.5-6) 1.14 4.48 -106.23 3 4 2 38 258.406 4 ↓

Analogs

23360597
23360597

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-3-[(3S)-3-morpholino-1-piperidyl]propan-1-ol 2,2-dimethyl-3-[(3S)-3-morpholin…

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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) 1.14 2.25 -36.65 2 4 1 37 257.398 4 ↓
Lo Low (pH 4.5-6) 1.14 4.49 -106.52 3 4 2 38 258.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,6R)-6-methyl-3-piperidyl]morpholine 4-[(3S,6R)-6-methyl-3-piperidyl]…

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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) 0.69 1.05 -38.39 2 3 1 29 185.291 1 ↓
Hi High (pH 8-9.5) 0.69 -0.21 -2.15 1 3 0 24 184.283 1 ↓
Lo Low (pH 4.5-6) 0.69 2.03 -33.13 2 3 1 26 185.291 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,6S)-6-methyl-3-piperidyl]morpholine 4-[(3S,6S)-6-methyl-3-piperidyl]…

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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) 0.69 1.34 -37.57 2 3 1 29 185.291 1 ↓
Hi High (pH 8-9.5) 0.69 0.06 -2.13 1 3 0 24 184.283 1 ↓
Lo Low (pH 4.5-6) 0.69 2.3 -33.02 2 3 1 26 185.291 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R,6R)-6-methyl-3-piperidyl]morpholine 4-[(3R,6R)-6-methyl-3-piperidyl]…

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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) 0.69 1.34 -37.56 2 3 1 29 185.291 1 ↓
Hi High (pH 8-9.5) 0.69 0.06 -2.53 1 3 0 24 184.283 1 ↓
Lo Low (pH 4.5-6) 0.69 2.31 -32.25 2 3 1 26 185.291 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R,6S)-6-methyl-3-piperidyl]morpholine 4-[(3R,6S)-6-methyl-3-piperidyl]…

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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) 0.69 1.05 -38.36 2 3 1 29 185.291 1 ↓
Hi High (pH 8-9.5) 0.69 -0.21 -2.46 1 3 0 24 184.283 1 ↓
Lo Low (pH 4.5-6) 0.69 2.03 -32.18 2 3 1 26 185.291 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[(3S,6R)-6-methyl-3-piperidyl]morpholine (2S,6R)-2,6-dimethyl-4-[(3S,6R)-…

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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) 1.42 2.55 -38.89 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.42 1.29 -2.17 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.42 3.51 -33.2 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[(3S,6S)-6-methyl-3-piperidyl]morpholine (2S,6R)-2,6-dimethyl-4-[(3S,6S)-…

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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) 1.42 2.83 -38.07 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.42 1.55 -2.15 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.42 3.78 -33.2 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[(3R,6R)-6-methyl-3-piperidyl]morpholine (2S,6R)-2,6-dimethyl-4-[(3R,6R)-…

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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) 1.42 2.62 -37.54 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.42 1.36 -1.97 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.42 3.79 -32.39 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2S,6R)-2,6-dimethyl-4-[(3R,6S)-…

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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) 1.42 2.34 -38.42 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.42 1.09 -1.99 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.42 3.51 -32.28 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-4-[(3S,6R)-6-methyl-3-piperidyl]morpholine (2R)-2-methyl-4-[(3S,6R)-6-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) 1.06 1.59 -38.21 2 3 1 29 199.318 1 ↓
Hi High (pH 8-9.5) 1.06 0.34 -2.08 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 1.06 2.78 -33.24 2 3 1 26 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-4-[(3S,6S)-6-methyl-3-piperidyl]morpholine (2R)-2-methyl-4-[(3S,6S)-6-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) 1.06 1.87 -37.3 2 3 1 29 199.318 1 ↓
Hi High (pH 8-9.5) 1.06 0.6 -2.02 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 1.06 4.32 -107.95 3 3 2 30 200.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-4-[(3R,6R)-6-methyl-3-piperidyl]morpholine (2R)-2-methyl-4-[(3R,6R)-6-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) 1.06 2.09 -37.93 2 3 1 29 199.318 1 ↓
Hi High (pH 8-9.5) 1.06 0.81 -2.48 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 1.06 3.05 -32.36 2 3 1 26 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2R)-2-methyl-4-[(3R,6S)-6-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) 1.06 1.8 -38.68 2 3 1 29 199.318 1 ↓
Hi High (pH 8-9.5) 1.06 0.54 -2.43 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 1.06 2.77 -32.29 2 3 1 26 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-[(3S,6R)-6-methyl-3-piperidyl]morpholine (3S)-3-methyl-4-[(3S,6R)-6-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) 1.02 1.45 -38.94 2 3 1 29 199.318 1 ↓
Hi High (pH 8-9.5) 1.02 0.21 -1.87 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 1.02 2.33 -31.37 2 3 1 26 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-[(3S,6S)-6-methyl-3-piperidyl]morpholine (3S)-3-methyl-4-[(3S,6S)-6-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) 1.02 1.75 -38.12 2 3 1 29 199.318 1 ↓
Hi High (pH 8-9.5) 1.02 0.47 -1.89 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 1.02 2.6 -31.3 2 3 1 26 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-[(3R,6R)-6-methyl-3-piperidyl]morpholine (3S)-3-methyl-4-[(3R,6R)-6-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) 1.02 1.72 -37.23 2 3 1 29 199.318 1 ↓
Hi High (pH 8-9.5) 1.02 0.46 -1.95 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 1.02 2.58 -30.3 2 3 1 26 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (3S)-3-methyl-4-[(3R,6S)-6-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) 1.02 1.44 -38.13 2 3 1 29 199.318 1 ↓
Hi High (pH 8-9.5) 1.02 0.19 -1.89 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 1.02 2.3 -30.32 2 3 1 26 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2,5-dimethyl-4-[(3S,6R)-6-methyl-3-piperidyl]morpholine (2S,5S)-2,5-dimethyl-4-[(3S,6R)-…

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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) 1.39 2.25 -38.56 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.39 0.99 -1.73 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.39 3.1 -31.78 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2,5-dimethyl-4-[(3S,6S)-6-methyl-3-piperidyl]morpholine (2S,5S)-2,5-dimethyl-4-[(3S,6S)-…

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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) 1.39 2.54 -37.78 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.39 1.26 -1.73 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.39 3.38 -31.81 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2,5-dimethyl-4-[(3R,6R)-6-methyl-3-piperidyl]morpholine (2S,5S)-2,5-dimethyl-4-[(3R,6R)-…

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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) 1.39 2.53 -38.02 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.39 1.25 -2.04 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.39 3.38 -30.98 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2,5-dimethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2S,5S)-2,5-dimethyl-4-[(3R,6S)-…

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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) 1.39 2.24 -38.8 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.39 0.99 -1.95 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.39 3.1 -30.88 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-ethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2R)-2-ethyl-4-[(3R,6S)-6-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) 1.56 2.44 -38.89 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.56 1.38 -2.25 1 3 0 24 212.337 2 ↓
Lo Low (pH 4.5-6) 1.56 3.6 -32.72 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2S)-2-ethyl-4-[(3R,6S)-6-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) 1.56 2.62 -38.44 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.56 1.18 -1.8 1 3 0 24 212.337 2 ↓
Lo Low (pH 4.5-6) 1.56 3.6 -32.72 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[(3S,6R)-6-methyl-3-piperidyl]morpholine 2,2-dimethyl-4-[(3S,6R)-6-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) 1.50 2.73 -38.9 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.50 1.47 -1.95 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.50 3.38 -32.73 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[(3S,6S)-6-methyl-3-piperidyl]morpholine 2,2-dimethyl-4-[(3S,6S)-6-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) 1.50 3 -38.16 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.50 1.73 -1.9 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.50 3.66 -32.68 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[(3R,6R)-6-methyl-3-piperidyl]morpholine 2,2-dimethyl-4-[(3R,6R)-6-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) 1.50 2.79 -37.3 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.50 1.53 -1.79 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.50 3.66 -31.81 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine 2,2-dimethyl-4-[(3R,6S)-6-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) 1.50 2.51 -38.15 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.50 1.27 -1.85 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.50 3.38 -31.71 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (3R)-3-ethyl-4-[(3R,6S)-6-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) 1.56 2.1 -39.27 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.56 0.84 -1.78 1 3 0 24 212.337 2 ↓
Lo Low (pH 4.5-6) 1.56 2.93 -30.5 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (3S)-3-ethyl-4-[(3R,6S)-6-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) 1.56 2.08 -38.27 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.56 0.82 -1.79 1 3 0 24 212.337 2 ↓
Lo Low (pH 4.5-6) 1.56 2.91 -30.45 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-ethyl-2-methyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2R,5R)-5-ethyl-2-methyl-4-[(3R,…

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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) 1.92 3.11 -39.55 2 3 1 29 227.372 2 ↓
Hi High (pH 8-9.5) 1.92 1.84 -1.58 1 3 0 24 226.364 2 ↓
Lo Low (pH 4.5-6) 1.92 3.65 -29.74 2 3 1 26 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-ethyl-2-methyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2R,5S)-5-ethyl-2-methyl-4-[(3R,…

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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) 1.92 2.83 -38.51 2 3 1 29 227.372 2 ↓
Hi High (pH 8-9.5) 1.92 1.57 -1.81 1 3 0 24 226.364 2 ↓
Lo Low (pH 4.5-6) 1.92 3.67 -30.4 2 3 1 26 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-5-ethyl-2-methyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2S,5R)-5-ethyl-2-methyl-4-[(3R,…

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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) 1.92 2.85 -39.6 2 3 1 29 227.372 2 ↓
Hi High (pH 8-9.5) 1.92 1.58 -1.82 1 3 0 24 226.364 2 ↓
Lo Low (pH 4.5-6) 1.92 3.69 -30.4 2 3 1 26 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-ethyl-2-methyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (2S,5S)-5-ethyl-2-methyl-4-[(3R,…

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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) 1.92 3.09 -38.21 2 3 1 29 227.372 2 ↓
Hi High (pH 8-9.5) 1.92 1.84 -1.47 1 3 0 24 226.364 2 ↓
Lo Low (pH 4.5-6) 1.92 3.64 -29.71 2 3 1 26 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-4-[(3S,6R)-6-methyl-3-piperidyl]morpholine 3,3-dimethyl-4-[(3S,6R)-6-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) 1.50 1.91 -38.22 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.50 0.65 -1.73 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.50 2.55 -30.39 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-4-[(3S,6S)-6-methyl-3-piperidyl]morpholine 3,3-dimethyl-4-[(3S,6S)-6-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) 1.50 2.2 -37.41 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.50 0.92 -1.74 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.50 2.82 -30.33 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-4-[(3R,6R)-6-methyl-3-piperidyl]morpholine 3,3-dimethyl-4-[(3R,6R)-6-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) 1.50 2.2 -37.42 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.50 0.92 -1.96 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.50 2.84 -29.41 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine 3,3-dimethyl-4-[(3R,6S)-6-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) 1.50 1.92 -38.26 2 3 1 29 213.345 1 ↓
Hi High (pH 8-9.5) 1.50 0.65 -1.91 1 3 0 24 212.337 1 ↓
Lo Low (pH 4.5-6) 1.50 2.57 -29.28 2 3 1 26 213.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2,2,6-trimethyl-4-[(3S,6R)-6-methyl-3-piperidyl]morpholine (6S)-2,2,6-trimethyl-4-[(3S,6R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 3.24 -38.38 2 3 1 29 227.372 1 ↓
Hi High (pH 8-9.5) 1.87 1.99 -1.94 1 3 0 24 226.364 1 ↓
Lo Low (pH 4.5-6) 1.87 4.11 -32.73 2 3 1 26 227.372 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2,2,6-trimethyl-4-[(3S,6S)-6-methyl-3-piperidyl]morpholine (6S)-2,2,6-trimethyl-4-[(3S,6S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 3.53 -37.46 2 3 1 29 227.372 1 ↓
Hi High (pH 8-9.5) 1.87 2.26 -1.89 1 3 0 24 226.364 1 ↓
Lo Low (pH 4.5-6) 1.87 4.39 -32.71 2 3 1 26 227.372 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2,2,6-trimethyl-4-[(3R,6R)-6-methyl-3-piperidyl]morpholine (6S)-2,2,6-trimethyl-4-[(3R,6R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 3.75 -38.37 2 3 1 29 227.372 1 ↓
Hi High (pH 8-9.5) 1.87 2.47 -2.34 1 3 0 24 226.364 1 ↓
Lo Low (pH 4.5-6) 1.87 4.39 -31.77 2 3 1 26 227.372 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2,2,6-trimethyl-4-[(3R,6S)-6-methyl-3-piperidyl]morpholine (6S)-2,2,6-trimethyl-4-[(3R,6S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 3.46 -39.07 2 3 1 29 227.372 1 ↓
Hi High (pH 8-9.5) 1.87 2.2 -2.33 1 3 0 24 226.364 1 ↓
Lo Low (pH 4.5-6) 1.87 4.11 -31.68 2 3 1 26 227.372 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-[(3R)-3-piperidyl]morpholine (2S,6R)-2,6-dimethyl-4-[(3R)-3-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) 0.74 0.79 -2.68 1 3 0 24 198.31 1 ↓
Mid Mid (pH 6-8) 0.74 1.94 -40.61 2 3 1 29 199.318 1 ↓
Lo Low (pH 4.5-6) 0.74 3.03 -32.12 2 3 1 26 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,6-dimethyl-4-[(3R)-3-piperidyl]morpholine (2S,6S)-2,6-dimethyl-4-[(3R)-3-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) 0.74 1.07 -2.4 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 0.74 2.99 -31.4 2 3 1 26 199.318 1 ↓
Lo Low (pH 4.5-6) 0.74 4.32 -108.46 3 3 2 30 200.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-[(3R)-3-piperidyl]morpholine (2R,6R)-2,6-dimethyl-4-[(3R)-3-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) 0.74 1.07 -2.38 1 3 0 24 198.31 1 ↓
Lo Low (pH 4.5-6) 0.74 3 -31.4 2 3 1 26 199.318 1 ↓
Lo Low (pH 4.5-6) 0.74 4.33 -108.34 3 3 2 30 200.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-4-[(3R)-3-piperidyl]morpholine (2R)-2-methyl-4-[(3R)-3-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) 0.38 0.05 -2.67 1 3 0 24 184.283 1 ↓
Lo Low (pH 4.5-6) 0.38 2.29 -32.04 2 3 1 26 185.291 1 ↓
Lo Low (pH 4.5-6) 0.38 3.62 -107.78 3 3 2 30 186.299 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-4-[(3R)-3-piperidyl]morpholine (2S)-2-methyl-4-[(3R)-3-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) 0.38 -0.15 -2.19 1 3 0 24 184.283 1 ↓
Lo Low (pH 4.5-6) 0.38 2.29 -32.06 2 3 1 26 185.291 1 ↓
Lo Low (pH 4.5-6) 0.38 3.62 -107.76 3 3 2 30 186.299 1 ↓

Parameters Provided:

ring.id = 139225
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 = 139225 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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