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Analogs

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Popular Name: 5-(2,2-dimethylmorpholin-4-yl)-4-ethyl-1,2,4-triazole-3-thiol 5-(2,2-dimethylmorpholin-4-yl)-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) 0.90 7.59 -10.25 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.63 7.75 -43.16 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 5-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,2,4-triazole-3-thiol 5-(2,2-dimethylmorpholin-4-yl)-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) 0.52 6.73 -10.51 1 5 0 46 228.321 1 ↓
Mid Mid (pH 6-8) 1.25 6.87 -42.4 0 5 -1 43 227.313 1 ↓

Analogs

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Popular Name: 5-(2,2-dimethylmorpholin-4-yl)-4-isopropyl-1,2,4-triazole-3-thiol 5-(2,2-dimethylmorpholin-4-yl)-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) 1.26 7.78 -9.08 1 5 0 46 256.375 2 ↓
Mid Mid (pH 6-8) 1.99 8.1 -41.81 0 5 -1 43 255.367 2 ↓

Analogs

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Popular Name: 4-ethyl-5-[(3R)-3-ethylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(3R)-3-ethylmorpholin…

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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 7.15 -10.45 1 5 0 46 242.348 3 ↓
Mid Mid (pH 6-8) 1.68 6.41 -44.96 0 5 -1 43 241.34 3 ↓

Analogs

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Popular Name: 4-ethyl-5-[(3S)-3-ethylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(3S)-3-ethylmorpholin…

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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 6.43 -9.58 1 5 0 46 242.348 3 ↓
Mid Mid (pH 6-8) 1.68 6.39 -44.8 0 5 -1 43 241.34 3 ↓

Analogs

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Popular Name: 5-[(3R)-3-ethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(3R)-3-ethylmorpholin-4-yl]-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) 0.58 6.18 -10.53 1 5 0 46 228.321 2 ↓
Mid Mid (pH 6-8) 1.31 5.46 -44.02 0 5 -1 43 227.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(3S)-3-ethylmorpholin-4-yl]-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) 0.58 6.36 -10.62 1 5 0 46 228.321 2 ↓
Mid Mid (pH 6-8) 1.31 5.46 -43.93 0 5 -1 43 227.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(3R)-3-ethylmorpholin-4-yl]-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) 1.32 7.36 -9.34 1 5 0 46 256.375 3 ↓
Mid Mid (pH 6-8) 2.05 6.74 -43.36 0 5 -1 43 255.367 3 ↓

Analogs

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Popular Name: 5-[(3S)-3-ethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(3S)-3-ethylmorpholin-4-yl]-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) 1.32 7.37 -9.35 1 5 0 46 256.375 3 ↓
Mid Mid (pH 6-8) 2.05 6.76 -43.42 0 5 -1 43 255.367 3 ↓

Analogs

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Popular Name: 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-ethyl-1,2,4-triazole-3-thiol 5-[(2R,6S)-2,6-dimethylmorpholin…

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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) 0.82 7.59 -10.1 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.54 7.74 -43.21 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-ethyl-1,2,4-triazole-3-thiol 5-[(2R,6R)-2,6-dimethylmorpholin…

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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) 0.82 7.74 -10.11 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.54 7.83 -43.1 0 5 -1 43 241.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-ethyl-1,2,4-triazole-3-thiol 5-[(2S,6S)-2,6-dimethylmorpholin…

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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) 0.82 7.7 -10.24 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.54 7.84 -43.1 0 5 -1 43 241.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2S,6R)-2,6-dimethylmorpholin…

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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) 0.44 6.72 -10.31 1 5 0 46 228.321 1 ↓
Mid Mid (pH 6-8) 1.17 6.86 -42.45 0 5 -1 43 227.313 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2S,6S)-2,6-dimethylmorpholin…

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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) 0.44 6.83 -10.5 1 5 0 46 228.321 1 ↓
Mid Mid (pH 6-8) 1.17 6.96 -42.3 0 5 -1 43 227.313 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2R,6R)-2,6-dimethylmorpholin…

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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) 0.44 6.83 -10.34 1 5 0 46 228.321 1 ↓
Mid Mid (pH 6-8) 1.17 6.97 -42.37 0 5 -1 43 227.313 1 ↓

Analogs

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Popular Name: 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(2S,6R)-2,6-dimethylmorpholin…

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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) 1.18 7.77 -9.05 1 5 0 46 256.375 2 ↓
Mid Mid (pH 6-8) 1.91 8.08 -41.98 0 5 -1 43 255.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(2S,6S)-2,6-dimethylmorpholin…

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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) 1.18 7.88 -9.1 1 5 0 46 256.375 2 ↓
Mid Mid (pH 6-8) 1.91 8.19 -41.8 0 5 -1 43 255.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(2R,6R)-2,6-dimethylmorpholin…

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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) 1.18 7.89 -9.03 1 5 0 46 256.375 2 ↓
Mid Mid (pH 6-8) 1.91 8.2 -41.77 0 5 -1 43 255.367 2 ↓

Analogs

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Popular Name: 4-ethyl-5-[(2R)-2-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(2R)-2-methylmorpholi…

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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) 0.45 6.83 -10.37 1 5 0 46 228.321 2 ↓
Mid Mid (pH 6-8) 1.18 6.97 -43.37 0 5 -1 43 227.313 2 ↓

Analogs

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Popular Name: 4-ethyl-5-[(2S)-2-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(2S)-2-methylmorpholi…

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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) 0.45 6.84 -10.47 1 5 0 46 228.321 2 ↓
Mid Mid (pH 6-8) 1.18 6.98 -43.42 0 5 -1 43 227.313 2 ↓

Analogs

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Popular Name: 4-methyl-5-[(2R)-2-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-methyl-5-[(2R)-2-methylmorphol…

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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) 0.08 5.96 -10.68 1 5 0 46 214.294 1 ↓
Mid Mid (pH 6-8) 0.81 6.1 -42.67 0 5 -1 43 213.286 1 ↓

Analogs

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Popular Name: 4-methyl-5-[(2S)-2-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-methyl-5-[(2S)-2-methylmorphol…

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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) 0.08 5.96 -10.74 1 5 0 46 214.294 1 ↓
Mid Mid (pH 6-8) 0.81 6.1 -42.66 0 5 -1 43 213.286 1 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(2R)-2-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-isopropyl-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) 0.82 7.02 -9.27 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.54 7.33 -42.13 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(2S)-2-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-isopropyl-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) 0.82 7.02 -9.39 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.54 7.33 -42.16 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 4-ethyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(3S)-3-methylmorpholi…

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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) 0.42 6.6 -10.63 1 5 0 46 228.321 2 ↓
Mid Mid (pH 6-8) 1.15 5.83 -44.53 0 5 -1 43 227.313 2 ↓

Analogs

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Popular Name: 4-ethyl-5-[(3R)-3-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(3R)-3-methylmorpholi…

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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) 0.42 5.84 -9.77 1 5 0 46 228.321 2 ↓
Mid Mid (pH 6-8) 1.15 5.8 -44.33 0 5 -1 43 227.313 2 ↓

Analogs

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Popular Name: 4-methyl-5-[(3R)-3-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-methyl-5-[(3R)-3-methylmorphol…

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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) 0.05 5.55 -10.78 1 5 0 46 214.294 1 ↓
Mid Mid (pH 6-8) 0.77 4.96 -43.65 0 5 -1 43 213.286 1 ↓

Analogs

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Popular Name: 4-methyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-methyl-5-[(3S)-3-methylmorphol…

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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) 0.05 5.77 -10.87 1 5 0 46 214.294 1 ↓
Mid Mid (pH 6-8) 0.77 4.96 -43.64 0 5 -1 43 213.286 1 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(3R)-3-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-isopropyl-5-[(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) 0.78 6.8 -9.52 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.51 6.21 -43 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-isopropyl-5-[(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) 0.78 6.81 -9.51 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.51 6.13 -42.97 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 5-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-4-ethyl-1,2,4-triazole-3-thiol 5-[(2S,5S)-2,5-dimethylmorpholin…

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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) 0.78 7.4 -9.82 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.51 7.69 -43.63 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 5-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-4-ethyl-1,2,4-triazole-3-thiol 5-[(2R,5S)-2,5-dimethylmorpholin…

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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) 0.78 7.35 -10.23 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.51 6.58 -44.09 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 5-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2R,5R)-2,5-dimethylmorpholin…

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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) 0.41 6.72 -10.28 1 5 0 46 228.321 1 ↓
Mid Mid (pH 6-8) 1.14 6.82 -42.83 0 5 -1 43 227.313 1 ↓

Analogs

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Popular Name: 5-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2S,5R)-2,5-dimethylmorpholin…

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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) 0.41 6.29 -10.27 1 5 0 46 228.321 1 ↓
Mid Mid (pH 6-8) 1.14 5.7 -43.43 0 5 -1 43 227.313 1 ↓

Analogs

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Popular Name: 5-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(2R,5R)-2,5-dimethylmorpholin…

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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) 1.15 7.75 -8.91 1 5 0 46 256.375 2 ↓
Mid Mid (pH 6-8) 1.87 8.03 -42.48 0 5 -1 43 255.367 2 ↓

Analogs

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Popular Name: 5-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(2S,5R)-2,5-dimethylmorpholin…

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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) 1.15 7.55 -9.18 1 5 0 46 256.375 2 ↓
Mid Mid (pH 6-8) 1.87 6.96 -42.81 0 5 -1 43 255.367 2 ↓

Analogs

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Popular Name: 4-ethyl-5-[(2R)-2-ethylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(2R)-2-ethylmorpholin…

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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 7.68 -10.41 1 5 0 46 242.348 3 ↓
Mid Mid (pH 6-8) 1.68 7.81 -43.32 0 5 -1 43 241.34 3 ↓

Analogs

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Popular Name: 4-ethyl-5-[(2S)-2-ethylmorpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(2S)-2-ethylmorpholin…

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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 7.68 -10.33 1 5 0 46 242.348 3 ↓
Mid Mid (pH 6-8) 1.68 7.81 -43.25 0 5 -1 43 241.34 3 ↓

Analogs

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Popular Name: 5-[(2R)-2-ethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2R)-2-ethylmorpholin-4-yl]-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) 0.58 6.8 -10.57 1 5 0 46 228.321 2 ↓
Mid Mid (pH 6-8) 1.31 6.94 -42.57 0 5 -1 43 227.313 2 ↓

Analogs

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Popular Name: 5-[(2S)-2-ethylmorpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2S)-2-ethylmorpholin-4-yl]-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) 0.58 6.8 -10.62 1 5 0 46 228.321 2 ↓
Mid Mid (pH 6-8) 1.31 6.94 -42.56 0 5 -1 43 227.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-ethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(2R)-2-ethylmorpholin-4-yl]-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) 1.32 7.85 -9.23 1 5 0 46 256.375 3 ↓
Mid Mid (pH 6-8) 2.05 8.16 -42.1 0 5 -1 43 255.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-ethylmorpholin-4-yl]-4-isopropyl-1,2,4-triazole-3-thiol 5-[(2S)-2-ethylmorpholin-4-yl]-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) 1.32 7.85 -9.29 1 5 0 46 256.375 3 ↓
Mid Mid (pH 6-8) 2.05 8.16 -42.05 0 5 -1 43 255.367 3 ↓

Analogs

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Popular Name: 2-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl-propyl-amino]acetonitrile 2-[(4-ethyl-3-morpholino-5-thiox…

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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) 0.84 8.14 -14.27 0 7 0 62 324.454 7 ↓

Analogs

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Popular Name: 2-[(4-isobutyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl-propyl-amino]acetonitrile 2-[(4-isobutyl-3-morpholino-5-th…

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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 10.45 -13.52 0 7 0 62 352.508 8 ↓

Analogs

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Popular Name: 5-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2R,5R)-5-ethyl-2-methyl-morp…

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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) 0.94 7.53 -10.11 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.67 7.74 -42.85 0 5 -1 43 241.34 2 ↓

Analogs

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Popular Name: 5-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2R,5S)-5-ethyl-2-methyl-morp…

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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) 0.94 7.1 -10.25 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.67 6.21 -43.73 0 5 -1 43 241.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2S,5R)-5-ethyl-2-methyl-morp…

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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) 0.94 6.91 -10.04 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.67 6.2 -43.81 0 5 -1 43 241.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-4-methyl-1,2,4-triazole-3-thiol 5-[(2S,5S)-5-ethyl-2-methyl-morp…

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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) 0.94 7.46 -10.07 1 5 0 46 242.348 2 ↓
Mid Mid (pH 6-8) 1.67 7.73 -42.81 0 5 -1 43 241.34 2 ↓

Analogs

4206928
4206928
21949430
21949430

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-5-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(2R,5R)-5-ethyl-2-met…

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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) 1.32 8.21 -9.85 1 5 0 46 256.375 3 ↓
Mid Mid (pH 6-8) 2.05 8.65 -43.54 0 5 -1 43 255.367 3 ↓

Analogs

4206928
4206928
21949430
21949430

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-5-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(2R,5S)-5-ethyl-2-met…

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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) 1.32 7.17 -9.2 1 5 0 46 256.375 3 ↓
Mid Mid (pH 6-8) 2.05 7.14 -44.57 0 5 -1 43 255.367 3 ↓

Parameters Provided:

ring.id = 114409
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 = 114409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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