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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-2-morpholino-propyl)cyclohexanamine N-(2-methyl-2-morpholino-propyl)…

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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) 2.69 4.72 -37.63 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.69 6.69 -117.39 3 3 2 30 242.407 4 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2R)-2-methylmorpholin-4-y…

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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) 2.24 3.86 -39.68 2 3 1 29 227.372 4 ↓
Lo Low (pH 4.5-6) 2.24 6.14 -118.11 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2S)-2-methylmorpholin-4-y…

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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) 2.24 3.86 -39.69 2 3 1 29 227.372 4 ↓
Lo Low (pH 4.5-6) 2.24 6.14 -118.11 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(3R)-3-methylmorpholin-4-y…

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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 3.72 -39.66 2 3 1 29 227.372 4 ↓
Lo Low (pH 4.5-6) 2.21 5.9 -114.92 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(3S)-3-methylmorpholin-4-y…

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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 3.72 -39.65 2 3 1 29 227.372 4 ↓
Lo Low (pH 4.5-6) 2.21 5.9 -114.95 3 3 2 30 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2R,5R)-2,5-dimethylmorpho…

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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 4.3 -39.83 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.57 6.48 -117.71 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2S,5R)-2,5-dimethylmorpho…

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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 4.47 -39.97 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.57 6.66 -116.34 3 3 2 30 242.407 4 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2R)-2-ethylmorpholin-4-yl…

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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) 2.75 4.69 -39.68 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.75 6.95 -119.15 3 3 2 30 242.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-2-ethylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2S)-2-ethylmorpholin-4-yl…

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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) 2.75 4.7 -39.61 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.75 6.97 -119.25 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclohexanamine N-[2-(2,2-dimethylmorpholin-4-yl…

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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) 2.69 4.78 -39.99 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.69 6.74 -118.9 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R)-3-ethylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(3R)-3-ethylmorpholin-4-yl…

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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) 2.75 4.37 -39.94 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.75 6.51 -116.91 3 3 2 30 242.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-ethylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(3S)-3-ethylmorpholin-4-yl…

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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) 2.75 4.38 -39.96 2 3 1 29 241.399 5 ↓
Lo Low (pH 4.5-6) 2.75 6.53 -116.89 3 3 2 30 242.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(6R)-2,2,6-trimethylmorpho…

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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) 3.05 5.51 -40.3 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 3.05 7.47 -120.39 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(6S)-2,2,6-trimethylmorpho…

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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) 3.05 5.5 -40.27 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 3.05 7.48 -120.39 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2R,5R)-5-ethyl-2-methyl-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) 3.11 5.39 -40.26 2 3 1 29 255.426 5 ↓
Lo Low (pH 4.5-6) 3.11 7.22 -117.67 3 3 2 30 256.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2R,5S)-5-ethyl-2-methyl-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) 3.11 5.13 -40.26 2 3 1 29 255.426 5 ↓
Lo Low (pH 4.5-6) 3.11 7.28 -118.32 3 3 2 30 256.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2S,5R)-5-ethyl-2-methyl-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) 3.11 5.12 -40.22 2 3 1 29 255.426 5 ↓
Lo Low (pH 4.5-6) 3.11 7.26 -118.25 3 3 2 30 256.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]ethyl]cyclohexanamine N-[2-[(2S,5S)-5-ethyl-2-methyl-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) 3.11 5.41 -40.28 2 3 1 29 255.426 5 ↓
Lo Low (pH 4.5-6) 3.11 7.25 -117.67 3 3 2 30 256.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclohexanamine N-[2-(3,3-dimethylmorpholin-4-yl…

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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) 2.69 4.09 -39.84 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.69 6.2 -114.52 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-cyclohexanamine N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 2.38 5.21 -40.67 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.38 7.48 -120.71 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-cyclohexanamine N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 2.38 5.51 -40.71 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.38 7.46 -120.05 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-cyclohexanamine N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 2.38 5.29 -40.91 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.38 7.22 -120.83 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine 4-methyl-N-[2-[(2R)-2-methylmorp…

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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) 2.01 4.25 -40.6 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.01 6.52 -119.86 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine 4-methyl-N-[2-[(2S)-2-methylmorp…

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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) 2.01 4.26 -40.57 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.01 6.53 -119.93 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine (1S,2R)-2-methyl-N-[2-[(2R)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 4.34 -39.34 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.48 6.62 -119.09 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine (1S,2S)-2-methyl-N-[2-[(2R)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 4.53 -38.83 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.48 6.8 -118.46 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine (1R,2R)-2-methyl-N-[2-[(2R)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 4.53 -38.84 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.48 6.8 -118.42 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine (1R,2S)-2-methyl-N-[2-[(2R)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 4.33 -39.4 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.48 6.61 -119.1 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine (1S,3R)-3-methyl-N-[2-[(2R)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.46 -40.34 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.25 6.74 -119.48 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine (1S,3S)-3-methyl-N-[2-[(2R)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.23 -40.1 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.25 6.51 -119.43 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine (1R,3R)-3-methyl-N-[2-[(2R)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.22 -40.13 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.25 6.5 -119.43 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclohexanamine (1R,3S)-3-methyl-N-[2-[(2R)-2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.45 -40.33 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.25 6.73 -119.44 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine 4-methyl-N-[2-[(3S)-3-methylmorp…

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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 4.11 -40.51 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 1.98 6.3 -116.74 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine 4-methyl-N-[2-[(3R)-3-methylmorp…

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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 4.11 -40.51 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 1.98 6.3 -116.74 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine (1S,2R)-2-methyl-N-[2-[(3S)-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 4.19 -39.32 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.45 6.37 -115.89 3 3 2 30 242.407 4 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine (1S,2S)-2-methyl-N-[2-[(3S)-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 4.38 -38.78 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.45 6.58 -115.17 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine (1R,2R)-2-methyl-N-[2-[(3S)-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 4.38 -38.86 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.45 6.57 -115.26 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine (1R,2S)-2-methyl-N-[2-[(3S)-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 4.2 -39.37 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.45 6.39 -115.85 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine (1S,3R)-3-methyl-N-[2-[(3S)-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 4.32 -40.25 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.21 6.51 -116.35 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine (1S,3S)-3-methyl-N-[2-[(3S)-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 4.08 -40.05 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.21 6.26 -116.27 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine (1R,3R)-3-methyl-N-[2-[(3S)-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 4.09 -40.09 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.21 6.28 -116.22 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]cyclohexanamine (1R,3S)-3-methyl-N-[2-[(3S)-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 4.32 -40.24 2 3 1 29 241.399 4 ↓
Lo Low (pH 4.5-6) 2.21 6.5 -116.28 3 3 2 30 242.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-4-methyl-cyclohexanamine N-[2-[(2S,5S)-2,5-dimethylmorpho…

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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 4.68 -40.72 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.34 6.87 -119.35 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-4-methyl-cyclohexanamine N-[2-[(2R,5S)-2,5-dimethylmorpho…

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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 4.86 -40.81 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.34 7.04 -118.12 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-2-methyl-cyclohexanamine (1S,2R)-N-[2-[(2S,5S)-2,5-dimeth…

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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) 2.81 4.78 -39.54 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.81 6.95 -118.55 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-2-methyl-cyclohexanamine (1S,2S)-N-[2-[(2S,5S)-2,5-dimeth…

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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) 2.81 4.96 -39.04 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.81 7.14 -117.94 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-2-methyl-cyclohexanamine (1R,2R)-N-[2-[(2S,5S)-2,5-dimeth…

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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) 2.81 4.96 -38.98 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.81 7.14 -117.86 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-2-methyl-cyclohexanamine (1R,2S)-N-[2-[(2S,5S)-2,5-dimeth…

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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) 2.81 4.77 -39.56 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.81 6.94 -118.56 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[2-[(2S,5S)-2,5-dimeth…

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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) 2.58 4.9 -40.49 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.58 7.07 -119.05 3 3 2 30 256.434 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[2-[(2S,5S)-2,5-dimeth…

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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) 2.58 4.67 -40.29 2 3 1 29 255.426 4 ↓
Lo Low (pH 4.5-6) 2.58 6.84 -119 3 3 2 30 256.434 4 ↓

Parameters Provided:

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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 = 23317 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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