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Analogs

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Popular Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide 2-[(4-ethyl-5-morpholino-1,2,4-t…

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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) 0.96 7.25 -19.59 2 9 0 101 370.479 6 ↓

Analogs

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Popular Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(1-cyano-1,2-dimethyl-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) 1.47 7.92 -16.69 1 8 0 96 366.491 7 ↓

Analogs

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Popular Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(1-cyano-1,2-dimethyl-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) 1.47 7.9 -17.6 1 8 0 96 366.491 7 ↓

Analogs

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Popular Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(4-ethyl-5-morpholino-1,2,4-t…

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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) 1.05 6.46 -11.75 1 7 0 72 353.37 7 ↓

Analogs

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Popular Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(isobutylcarbamoyl)acetamide 2-[(4-ethyl-5-morpholino-1,2,4-t…

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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) 0.90 7.73 -19.88 2 9 0 101 370.479 7 ↓

Analogs

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Popular Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide 2-[(4-ethyl-5-morpholino-1,2,4-t…

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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) 0.66 6.98 -20.2 2 9 0 101 356.452 7 ↓

Analogs

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Popular Name: N-carbamoyl-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide N-carbamoyl-2-[(4-ethyl-5-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) 0.51 5.72 -24.4 3 9 0 115 356.452 6 ↓

Analogs

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Popular Name: N-carbamoyl-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide N-carbamoyl-2-[(4-ethyl-5-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) 0.51 6.3 -19.18 3 9 0 115 356.452 6 ↓

Analogs

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Popular Name: N-(3,3-dimethylbutyl)-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(3,3-dimethylbutyl)-2-[(4-ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 8.43 -11.75 1 7 0 72 355.508 8 ↓

Analogs

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Popular Name: 2-[[5-(2,2-dimethylmorpholin-4-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(2,2-dimethylmorpholin-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) 1.44 9.42 -46.48 0 7 -1 83 313.403 5 ↓

Analogs

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Popular Name: 2-[[5-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(2,2-dimethylmorpholin-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) 1.58 9.82 -45.38 0 7 -1 83 313.403 6 ↓

Analogs

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Popular Name: 2-[[5-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(2,2-dimethylmorpholin-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) 0.70 8.19 -45.32 0 7 -1 83 285.349 4 ↓

Analogs

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Popular Name: 2-[[5-(2,2-dimethylmorpholin-4-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(2,2-dimethylmorpholin-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) 1.08 9.07 -45.55 0 7 -1 83 299.376 5 ↓

Analogs

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Popular Name: 2-[[5-[(3R)-3-ethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethylmorpholin-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) 1.50 8.06 -47.53 0 7 -1 83 313.403 6 ↓

Analogs

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Popular Name: 2-[[5-[(3S)-3-ethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethylmorpholin-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) 1.50 8.09 -47.52 0 7 -1 83 313.403 6 ↓

Analogs

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Popular Name: 2-[[5-[(3S)-3-ethylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethylmorpholin-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) 1.64 8.5 -46.76 0 7 -1 83 313.403 7 ↓

Analogs

42778901
42778901
42778903
42778903

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Popular Name: 2-[[5-[(3R)-3-ethylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethylmorpholin-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) 1.64 8.47 -46.39 0 7 -1 83 313.403 7 ↓

Analogs

42778905
42778905
42778907
42778907
43426852
43426852
43426853
43426853
43426856
43426856

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-ethylmorpholin-4-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethylmorpholin-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) 0.76 6.77 -46.4 0 7 -1 83 285.349 5 ↓

Analogs

42778905
42778905
42778907
42778907
43426852
43426852
43426853
43426853
43426856
43426856

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-ethylmorpholin-4-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethylmorpholin-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) 0.76 6.78 -46.38 0 7 -1 83 285.349 5 ↓

Analogs

43426854
43426854
43426855
43426855

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Popular Name: 2-[[4-ethyl-5-[(3R)-3-ethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(3R)-3-ethylmorph…

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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) 1.13 7.72 -46.98 0 7 -1 83 299.376 6 ↓

Analogs

43426854
43426854
43426855
43426855

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Popular Name: 2-[[4-ethyl-5-[(3S)-3-ethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(3S)-3-ethylmorph…

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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) 1.13 7.72 -46.55 0 7 -1 83 299.376 6 ↓

Analogs

42460022
42460022
42778897
42778897
42778899
42778899

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Popular Name: 2-[(4-isopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetic 2-[(4-isopropyl-5-morpholino-1,2…

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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) 0.63 7.91 -47.08 0 7 -1 83 285.349 5 ↓

Analogs

42460022
42460022
42778901
42778901
42778903
42778903

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Popular Name: 2-[(5-morpholino-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic 2-[(5-morpholino-4-propyl-1,2,4-…

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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) 0.77 8.3 -45.88 0 7 -1 83 285.349 6 ↓

Analogs

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Popular Name: 2-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S,6R)-2,6-dimethylmorph…

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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) 1.36 9.41 -46.66 0 7 -1 83 313.403 5 ↓

Analogs

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Popular Name: 2-[[5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S,6S)-2,6-dimethylmorph…

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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) 1.36 9.52 -46.45 0 7 -1 83 313.403 5 ↓

Analogs

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Popular Name: 2-[[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R,6R)-2,6-dimethylmorph…

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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) 1.36 9.52 -46.47 0 7 -1 83 313.403 5 ↓

Analogs

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Popular Name: 2-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R,6S)-2,6-dimethylmorph…

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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 9.81 -45.48 0 7 -1 83 313.403 6 ↓

Analogs

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Popular Name: 2-[[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R,6R)-2,6-dimethylmorph…

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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 9.9 -45.26 0 7 -1 83 313.403 6 ↓

Analogs

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Popular Name: 2-[[5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S,6S)-2,6-dimethylmorph…

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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 9.92 -45.36 0 7 -1 83 313.403 6 ↓

Analogs

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Popular Name: 2-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S,6R)-2,6-dimethylmorph…

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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) 0.62 8.18 -45.51 0 7 -1 83 285.349 4 ↓

Analogs

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Popular Name: 2-[[5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S,6S)-2,6-dimethylmorph…

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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) 0.62 8.28 -45.31 0 7 -1 83 285.349 4 ↓

Analogs

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Popular Name: 2-[[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R,6R)-2,6-dimethylmorph…

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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) 0.62 8.29 -45.33 0 7 -1 83 285.349 4 ↓

Analogs

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Popular Name: 2-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R,6S)-2,6-dimethylmorph…

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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) 0.99 9.07 -45.71 0 7 -1 83 299.376 5 ↓

Analogs

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Popular Name: 2-[[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R,6R)-2,6-dimethylmorph…

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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) 0.99 9.15 -45.46 0 7 -1 83 299.376 5 ↓

Analogs

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Popular Name: 2-[[5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S,6S)-2,6-dimethylmorph…

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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) 0.99 9.17 -45.56 0 7 -1 83 299.376 5 ↓

Analogs

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Popular Name: 2-[[4-isopropyl-5-[(2R)-2-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-[(2R)-2-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) 0.99 8.65 -46.86 0 7 -1 83 299.376 5 ↓

Analogs

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Popular Name: 2-[[4-isopropyl-5-[(2S)-2-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-[(2S)-2-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) 0.99 8.66 -46.79 0 7 -1 83 299.376 5 ↓

Analogs

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Popular Name: 2-[[5-[(2R)-2-methylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2R)-2-methylmorpholin-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) 1.13 9.05 -45.67 0 7 -1 83 299.376 6 ↓

Analogs

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Popular Name: 2-[[5-[(2S)-2-methylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2S)-2-methylmorpholin-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) 1.13 9.06 -45.71 0 7 -1 83 299.376 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-[(2R)-2-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-[(2R)-2-methylmor…

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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) 0.26 7.42 -45.69 0 7 -1 83 271.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-[(2S)-2-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-[(2S)-2-methylmor…

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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) 0.26 7.42 -45.69 0 7 -1 83 271.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(2R)-2-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(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) 0.63 8.3 -45.89 0 7 -1 83 285.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(2S)-2-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(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) 0.63 8.31 -45.92 0 7 -1 83 285.349 5 ↓

Analogs

42778897
42778897
42778899
42778899
42778909
42778909
42778911
42778911
42778913
42778913

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Popular Name: 2-[[4-isopropyl-5-[(3R)-3-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-[(3R)-3-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) 0.96 7.55 -47.37 0 7 -1 83 299.376 5 ↓

Analogs

42778897
42778897
42778899
42778899
42778909
42778909
42778911
42778911
42778913
42778913

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-isopropyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-[(3S)-3-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) 0.96 7.46 -47.38 0 7 -1 83 299.376 5 ↓

Analogs

42778901
42778901
42778903
42778903
42778909
42778909
42778911
42778911
42778913
42778913

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-methylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-methylmorpholin-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) 1.10 7.89 -46.6 0 7 -1 83 299.376 6 ↓

Analogs

42778901
42778901
42778903
42778903
42778909
42778909
42778911
42778911
42778913
42778913

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-methylmorpholin-4-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3R)-3-methylmorpholin-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) 1.10 7.87 -46.29 0 7 -1 83 299.376 6 ↓

Analogs

42778905
42778905
42778907
42778907

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-[(3R)-3-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-[(3R)-3-methylmor…

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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) 0.22 6.28 -46.23 0 7 -1 83 271.322 4 ↓

Analogs

42778905
42778905
42778907
42778907

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-methyl-5-[(3S)-3-methylmor…

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Activity (Go SEA)

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) 0.22 6.28 -46.24 0 7 -1 83 271.322 4 ↓

Analogs

42778897
42778897
42778899
42778899
42778901
42778901
42778903
42778903
42778909
42778909

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-ethyl-5-[(3S)-3-methylmorp…

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Activity (Go SEA)

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) 0.60 7.15 -46.82 0 7 -1 83 285.349 5 ↓

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 = 5616 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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