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Analogs

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Popular Name: (4S)-2,2-dimethyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (4S)-2,2-dimethyl-4-(1,2,4-oxadi…

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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) 0.43 -0.47 -42.39 3 5 1 76 198.246 1 ↓
Hi High (pH 8-9.5) 0.43 -0.68 -7.55 2 5 0 74 197.238 1 ↓

Analogs

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Popular Name: (4R)-2,2-dimethyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (4R)-2,2-dimethyl-4-(1,2,4-oxadi…

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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) 0.43 -0.61 -42 3 5 1 76 198.246 1 ↓
Hi High (pH 8-9.5) 0.43 -0.72 -7.53 2 5 0 74 197.238 1 ↓

Analogs

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Popular Name: (2R,4S)-2-ethyl-2-methyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-2-methyl-4-(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) 0.93 0.26 -42.64 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.93 -0.01 -7.4 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (2S,4S)-2-ethyl-2-methyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-2-methyl-4-(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) 0.93 -0.7 -46.13 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.93 -0.03 -7.33 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (2R,4R)-2-ethyl-2-methyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-2-methyl-4-(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) 0.93 -0 -41.71 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.93 -0.09 -7.37 2 5 0 74 211.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-2-methyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-2-methyl-4-(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) 0.93 0.1 -42.18 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.93 -0.01 -7.35 2 5 0 74 211.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-4-(1,2,4-oxadiaz…

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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) 0.49 -0.54 -44.77 3 5 1 76 198.246 2 ↓
Hi High (pH 8-9.5) 0.49 -0.77 -7.32 2 5 0 74 197.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-4-(1,2,4-oxadiaz…

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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) 0.49 -0.36 -46.68 3 5 1 76 198.246 2 ↓
Hi High (pH 8-9.5) 0.49 -0.53 -7.29 2 5 0 74 197.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-4-(1,2,4-oxadiaz…

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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) 0.49 -0.99 -46.19 3 5 1 76 198.246 2 ↓
Hi High (pH 8-9.5) 0.49 -0.58 -7.27 2 5 0 74 197.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-4-(1,2,4-oxadiaz…

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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) 0.49 -0.6 -44.19 3 5 1 76 198.246 2 ↓
Hi High (pH 8-9.5) 0.49 -0.86 -8.13 2 5 0 74 197.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(1,2,4-oxadiazol-3-yl)-2-propyl-tetrahydropyran-4-amine (2R,4S)-4-(1,2,4-oxadiazol-3-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) 1.05 0.24 -45.09 3 5 1 76 212.273 3 ↓
Hi High (pH 8-9.5) 1.05 0 -7.19 2 5 0 74 211.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(1,2,4-oxadiazol-3-yl)-2-propyl-tetrahydropyran-4-amine (2S,4S)-4-(1,2,4-oxadiazol-3-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) 1.05 0.41 -46.66 3 5 1 76 212.273 3 ↓
Hi High (pH 8-9.5) 1.05 0.24 -7.19 2 5 0 74 211.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(1,2,4-oxadiazol-3-yl)-2-propyl-tetrahydropyran-4-amine (2R,4R)-4-(1,2,4-oxadiazol-3-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) 1.05 -0.21 -46.19 3 5 1 76 212.273 3 ↓
Hi High (pH 8-9.5) 1.05 0.19 -7.17 2 5 0 74 211.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(1,2,4-oxadiazol-3-yl)-2-propyl-tetrahydropyran-4-amine (2S,4R)-4-(1,2,4-oxadiazol-3-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) 1.05 0.18 -44.51 3 5 1 76 212.273 3 ↓
Hi High (pH 8-9.5) 1.05 -0.09 -8.05 2 5 0 74 211.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-methyl-4-(1,2,4-oxadia…

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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) -0.02 -1.36 -44.65 3 5 1 76 184.219 1 ↓
Hi High (pH 8-9.5) -0.02 -1.6 -7.46 2 5 0 74 183.211 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-methyl-4-(1,2,4-oxadia…

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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) -0.02 -1.12 -41.9 3 5 1 76 184.219 1 ↓
Hi High (pH 8-9.5) -0.02 -1.33 -7.44 2 5 0 74 183.211 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-methyl-4-(1,2,4-oxadia…

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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) -0.02 -1.25 -41.46 3 5 1 76 184.219 1 ↓
Hi High (pH 8-9.5) -0.02 -1.38 -7.42 2 5 0 74 183.211 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-methyl-4-(1,2,4-oxadia…

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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) -0.02 -1.42 -44.09 3 5 1 76 184.219 1 ↓
Hi High (pH 8-9.5) -0.02 -1.69 -8.3 2 5 0 74 183.211 1 ↓

Analogs

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Popular Name: (2S,4S)-2-isopropyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-isopropyl-4-(1,2,4-oxa…

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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) 0.73 -0.01 -44.78 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.73 -0.25 -7.18 2 5 0 74 211.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-isopropyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-isopropyl-4-(1,2,4-oxa…

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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) 0.73 0.23 -46.78 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.73 0.08 -7.18 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (2S,4R)-2-isopropyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-isopropyl-4-(1,2,4-oxa…

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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) 0.73 -0.47 -46.42 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.73 0.01 -7.17 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (2R,4R)-2-isopropyl-4-(1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-isopropyl-4-(1,2,4-oxa…

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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) 0.73 0.01 -44.47 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.73 -0.26 -7.94 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (4S)-2,2-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (4S)-2,2-dimethyl-4-(5-methyl-1,…

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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) 0.65 0.07 -40.68 3 5 1 76 212.273 1 ↓
Hi High (pH 8-9.5) 0.65 0.02 -6.94 2 5 0 74 211.265 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,2-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (4R)-2,2-dimethyl-4-(5-methyl-1,…

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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) 0.65 0.14 -40.69 3 5 1 76 212.273 1 ↓
Hi High (pH 8-9.5) 0.65 0.02 -7.05 2 5 0 74 211.265 1 ↓

Analogs

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Popular Name: (2R,4S)-2-ethyl-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-2-methyl-4-(5-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) 1.16 1 -41.28 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 1.16 0.74 -6.92 2 5 0 74 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-2-methyl-4-(5-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) 1.16 0.04 -45.17 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 1.16 0.72 -6.9 2 5 0 74 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-2-methyl-4-(5-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) 1.16 0.75 -40.33 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 1.16 0.66 -6.87 2 5 0 74 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-2-methyl-4-(5-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) 1.16 0.85 -40.86 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 1.16 0.73 -6.95 2 5 0 74 225.292 2 ↓

Analogs

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Popular Name: (2R,4S)-2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-4-(5-methyl-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) 0.71 0.21 -43.5 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.71 -0.02 -6.83 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (2S,4S)-2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-4-(5-methyl-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) 0.71 0.39 -45.65 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.71 0.22 -6.78 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (2R,4R)-2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-4-(5-methyl-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) 0.71 -0.24 -45.26 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.71 0.17 -6.77 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (2S,4R)-2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-4-(5-methyl-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) 0.71 0.15 -42.97 3 5 1 76 212.273 2 ↓
Hi High (pH 8-9.5) 0.71 -0.11 -7.77 2 5 0 74 211.265 2 ↓

Analogs

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Popular Name: (2R,4S)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-tetrahydropyran-4-amine (2R,4S)-4-(5-methyl-1,2,4-oxadia…

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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) 1.27 0.99 -43.82 3 5 1 76 226.3 3 ↓
Hi High (pH 8-9.5) 1.27 0.75 -6.73 2 5 0 74 225.292 3 ↓

Analogs

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Popular Name: (2S,4S)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-tetrahydropyran-4-amine (2S,4S)-4-(5-methyl-1,2,4-oxadia…

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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) 1.27 1.16 -45.66 3 5 1 76 226.3 3 ↓
Hi High (pH 8-9.5) 1.27 0.99 -6.72 2 5 0 74 225.292 3 ↓

Analogs

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Popular Name: (2R,4R)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-tetrahydropyran-4-amine (2R,4R)-4-(5-methyl-1,2,4-oxadia…

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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) 1.27 0.53 -45.22 3 5 1 76 226.3 3 ↓
Hi High (pH 8-9.5) 1.27 0.94 -6.79 2 5 0 74 225.292 3 ↓

Analogs

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Popular Name: (2S,4R)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-tetrahydropyran-4-amine (2S,4R)-4-(5-methyl-1,2,4-oxadia…

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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) 1.27 0.93 -43.26 3 5 1 76 226.3 3 ↓
Hi High (pH 8-9.5) 1.27 0.65 -7.7 2 5 0 74 225.292 3 ↓

Analogs

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Popular Name: (2R,4S)-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-methyl-4-(5-methyl-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) 0.21 -0.68 -42.85 3 5 1 76 198.246 1 ↓
Hi High (pH 8-9.5) 0.21 -0.9 -6.85 2 5 0 74 197.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-methyl-4-(5-methyl-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) 0.21 -0.5 -40.2 3 5 1 76 198.246 1 ↓
Hi High (pH 8-9.5) 0.21 -0.63 -6.93 2 5 0 74 197.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-methyl-4-(5-methyl-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) 0.21 -0.58 -40.13 3 5 1 76 198.246 1 ↓
Hi High (pH 8-9.5) 0.21 -0.64 -6.86 2 5 0 74 197.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-methyl-4-(5-methyl-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) 0.21 -0.68 -42.88 3 5 1 76 198.246 1 ↓
Hi High (pH 8-9.5) 0.21 -0.95 -7.97 2 5 0 74 197.238 1 ↓

Analogs

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Popular Name: (2S,4S)-2-isopropyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-isopropyl-4-(5-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) 0.95 0.66 -42.93 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 0.95 0.43 -6.58 2 5 0 74 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-isopropyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-isopropyl-4-(5-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) 0.95 0.28 -45.48 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 0.95 0.76 -6.65 2 5 0 74 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-isopropyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-isopropyl-4-(5-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) 0.95 0.31 -45.38 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 0.95 0.75 -6.69 2 5 0 74 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-isopropyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-isopropyl-4-(5-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) 0.95 0.74 -43.28 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 0.95 0.48 -7.54 2 5 0 74 225.292 2 ↓

Analogs

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Popular Name: (4S)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,2-dimethyl-tetrahydropyran-4-amine (4S)-4-(5-ethyl-1,2,4-oxadiazol-…

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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) 1.23 0.81 -40.21 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 1.23 0.77 -6.31 2 5 0 74 225.292 2 ↓

Analogs

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Popular Name: (4R)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,2-dimethyl-tetrahydropyran-4-amine (4R)-4-(5-ethyl-1,2,4-oxadiazol-…

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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) 1.23 0.89 -40.04 3 5 1 76 226.3 2 ↓
Hi High (pH 8-9.5) 1.23 0.77 -6.41 2 5 0 74 225.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-4-(5-ethyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-4-(5-ethyl-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) 1.28 0.9 -42.53 3 5 1 76 226.3 3 ↓
Hi High (pH 8-9.5) 1.28 0.68 -6.06 2 5 0 74 225.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-4-(5-ethyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-4-(5-ethyl-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) 1.28 0.52 -44.73 3 5 1 76 226.3 3 ↓
Hi High (pH 8-9.5) 1.28 0.93 -6.05 2 5 0 74 225.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-4-(5-ethyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-4-(5-ethyl-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) 1.28 0.47 -44.92 3 5 1 76 226.3 3 ↓
Hi High (pH 8-9.5) 1.28 0.93 -6.05 2 5 0 74 225.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-4-(5-ethyl-1,2,4-oxadiazol-3-yl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-4-(5-ethyl-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) 1.28 0.9 -42.38 3 5 1 76 226.3 3 ↓
Hi High (pH 8-9.5) 1.28 0.64 -7.17 2 5 0 74 225.292 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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