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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethanamine (1R)-2-[(4aR,7aR)-3,4a,5,6,7,7a-…

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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) 0.80 2.55 -41.27 3 3 1 40 211.329 3 ↓
Lo Low (pH 4.5-6) 0.80 4.47 -122.56 4 3 2 41 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethanamine (1R)-2-[(4aS,7aR)-3,4a,5,6,7,7a-…

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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) 0.80 2.71 -41.07 3 3 1 40 211.329 3 ↓
Lo Low (pH 4.5-6) 0.80 4.4 -124.44 4 3 2 41 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethanamine (1R)-2-[(4aR,7aS)-3,4a,5,6,7,7a-…

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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) 0.80 2.9 -41.78 3 3 1 40 211.329 3 ↓
Lo Low (pH 4.5-6) 0.80 4.6 -125.39 4 3 2 41 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethanamine (1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 0.80 2.07 -44.46 3 3 1 40 211.329 3 ↓
Lo Low (pH 4.5-6) 0.80 4.17 -115.47 4 3 2 41 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-N-methyl-e (1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.71 4.32 -39.28 2 3 1 29 225.356 4 ↓
Lo Low (pH 4.5-6) 1.71 6.25 -110.27 3 3 2 30 226.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-N-methyl-e (1S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.71 6.06 -37.07 2 3 1 29 225.356 4 ↓
Lo Low (pH 4.5-6) 1.71 5.97 -115.93 3 3 2 30 226.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethanol (1R)-2-[(4aR,7aR)-3,4a,5,6,7,7a-…

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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) 1.29 1.42 -3.56 1 3 0 33 211.305 3 ↓
Mid Mid (pH 6-8) 1.29 3.7 -33.36 2 3 1 34 212.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethanol (1R)-2-[(4aS,7aR)-3,4a,5,6,7,7a-…

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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) 1.29 1.61 -3.2 1 3 0 33 211.305 3 ↓
Mid Mid (pH 6-8) 1.29 3.67 -34.47 2 3 1 34 212.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethanol (1R)-2-[(4aR,7aS)-3,4a,5,6,7,7a-…

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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) 1.29 1.63 -3.43 1 3 0 33 211.305 3 ↓
Mid Mid (pH 6-8) 1.29 3.71 -34.66 2 3 1 34 212.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethanol (1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.29 1.69 -3.31 1 3 0 33 211.305 3 ↓
Mid Mid (pH 6-8) 1.29 3.97 -33.37 2 3 1 34 212.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-N-ethyl-et (1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 2.09 4.68 -37.56 2 3 1 29 239.383 5 ↓
Lo Low (pH 4.5-6) 2.09 6.73 -109.79 3 3 2 30 240.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-N-ethyl-et (1S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 2.09 4.8 -35.43 2 3 1 29 239.383 5 ↓
Lo Low (pH 4.5-6) 2.09 6.76 -114.82 3 3 2 30 240.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethyl]p N-[(1R)-2-[(4aS,7aS)-3,4a,5,6,7,…

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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) 2.59 5.43 -38.32 2 3 1 29 253.41 6 ↓
Lo Low (pH 4.5-6) 2.59 7.48 -111.67 3 3 2 30 254.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-cyclopropyl-ethyl]p N-[(1S)-2-[(4aS,7aS)-3,4a,5,6,7,…

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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) 2.59 5.56 -36.11 2 3 1 29 253.41 6 ↓
Lo Low (pH 4.5-6) 2.59 7.51 -116.87 3 3 2 30 254.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(methyla (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.57 4.72 -4.85 1 4 0 48 249.358 4 ↓
Mid Mid (pH 6-8) 1.57 4.52 -7.6 2 4 0 49 250.366 4 ↓
Lo Low (pH 4.5-6) 1.57 6.12 -44.23 2 4 1 53 250.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(methyla (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.57 3.78 -4.85 1 4 0 48 249.358 4 ↓
Mid Mid (pH 6-8) 1.57 5.46 -34.93 2 4 1 49 250.366 4 ↓
Lo Low (pH 4.5-6) 1.57 5.09 -47.03 2 4 1 53 250.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(isoprop (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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 6.21 -4.37 1 4 0 48 277.412 5 ↓
Mid Mid (pH 6-8) 2.24 5.76 -36.33 2 4 1 49 278.42 5 ↓
Lo Low (pH 4.5-6) 2.24 4.89 -39.35 2 4 1 53 278.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(isoprop (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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 5.35 -4.41 1 4 0 48 277.412 5 ↓
Mid Mid (pH 6-8) 2.24 6.3 -37.97 2 4 1 49 278.42 5 ↓
Lo Low (pH 4.5-6) 2.24 4.6 -43.94 2 4 1 53 278.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2R)-3-[(4aR,7aR)-3,4a,5,6,7,7a-…

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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) 1.19 1.55 -7.16 2 4 0 62 235.331 3 ↓
Lo Low (pH 4.5-6) 1.19 2.26 -49.05 3 4 1 64 236.339 3 ↓
Lo Low (pH 4.5-6) 1.19 3.76 -40.26 3 4 1 63 236.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2R)-3-[(4aS,7aR)-3,4a,5,6,7,7a-…

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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) 1.19 2.6 -8.01 2 4 0 62 235.331 3 ↓
Lo Low (pH 4.5-6) 1.19 2.48 -50.11 3 4 1 64 236.339 3 ↓
Lo Low (pH 4.5-6) 1.19 3.71 -43.31 3 4 1 63 236.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2R)-3-[(4aR,7aS)-3,4a,5,6,7,7a-…

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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) 1.19 1.73 -6.8 2 4 0 62 235.331 3 ↓
Lo Low (pH 4.5-6) 1.19 2.43 -49.03 3 4 1 64 236.339 3 ↓
Lo Low (pH 4.5-6) 1.19 3.62 -43.4 3 4 1 63 236.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.19 2.33 -7.9 2 4 0 62 235.331 3 ↓
Lo Low (pH 4.5-6) 1.19 3.45 -39.12 3 4 1 63 236.339 3 ↓
Lo Low (pH 4.5-6) 1.19 1.88 -53.16 3 4 1 64 236.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylam (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.94 5.66 -4.78 1 4 0 48 263.385 5 ↓
Mid Mid (pH 6-8) 1.94 5.39 -36.28 2 4 1 49 264.393 5 ↓
Lo Low (pH 4.5-6) 1.94 6.76 -42.05 2 4 1 53 264.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylam (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.94 4.67 -4.67 1 4 0 48 263.385 5 ↓
Mid Mid (pH 6-8) 1.94 4.63 -36.19 2 4 1 49 264.393 5 ↓
Lo Low (pH 4.5-6) 1.94 5.92 -44.52 2 4 1 53 264.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(propyla (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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 6.42 -4.83 1 4 0 48 277.412 6 ↓
Mid Mid (pH 6-8) 2.45 6.15 -36.78 2 4 1 49 278.42 6 ↓
Lo Low (pH 4.5-6) 2.45 7.52 -42.81 2 4 1 53 278.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(propyla (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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 5.43 -4.63 1 4 0 48 277.412 6 ↓
Mid Mid (pH 6-8) 2.45 5.39 -36.47 2 4 1 49 278.42 6 ↓
Lo Low (pH 4.5-6) 2.45 6.67 -45.43 2 4 1 53 278.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylam (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) -0.57 5.27 -33.93 2 5 0 69 282.384 6 ↓
Hi High (pH 8-9.5) -0.57 4.28 -46.87 1 5 -1 65 281.376 6 ↓
Lo Low (pH 4.5-6) -0.57 7.35 -65.06 3 5 1 70 283.392 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylam (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) -0.57 5.09 -31.33 2 5 0 69 282.384 6 ↓
Hi High (pH 8-9.5) -0.57 3.55 -47.43 1 5 -1 65 281.376 6 ↓
Lo Low (pH 4.5-6) -0.57 6.9 -60.53 3 5 1 70 283.392 6 ↓

Analogs

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Popular Name: (2S)-3-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2S)-3-[(4aR,7aR)-3,4a,5,6,7,7a-…

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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) 0.14 -1.06 -53.81 5 5 1 83 254.354 4 ↓
Mid Mid (pH 6-8) 0.14 -1.06 -6.4 4 5 0 82 253.346 4 ↓
Lo Low (pH 4.5-6) 0.14 0.6 -35.53 5 5 1 83 254.354 4 ↓

Analogs

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Popular Name: (2S)-3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2S)-3-[(4aS,7aR)-3,4a,5,6,7,7a-…

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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) 0.14 -0.48 -49.42 5 5 1 83 254.354 4 ↓
Mid Mid (pH 6-8) 0.14 -0.78 -6.69 4 5 0 82 253.346 4 ↓
Lo Low (pH 4.5-6) 0.14 0.81 -42.75 5 5 1 83 254.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2S)-3-[(4aR,7aS)-3,4a,5,6,7,7a-…

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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) 0.14 -0.15 -50.72 5 5 1 83 254.354 4 ↓
Mid Mid (pH 6-8) 0.14 -0.79 -6.71 4 5 0 82 253.346 4 ↓
Lo Low (pH 4.5-6) 0.14 1.15 -37.88 5 5 1 83 254.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 0.14 -0.25 -49.64 5 5 1 83 254.354 4 ↓
Mid Mid (pH 6-8) 0.14 -1.05 -7.09 4 5 0 82 253.346 4 ↓
Lo Low (pH 4.5-6) 0.14 1.36 -38.99 5 5 1 83 254.354 4 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 2.91 -5.64 2 5 0 65 268.357 5 ↓
Mid Mid (pH 6-8) 1.27 3.17 -43.42 3 5 1 66 269.365 5 ↓
Lo Low (pH 4.5-6) 1.27 5.08 -117.86 4 5 2 68 270.373 5 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 2.48 -5.22 2 5 0 65 268.357 5 ↓
Mid Mid (pH 6-8) 1.27 3.09 -44.71 3 5 1 66 269.365 5 ↓
Lo Low (pH 4.5-6) 1.27 5.01 -118.79 4 5 2 68 270.373 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.65 3.83 -5.47 2 5 0 65 282.384 6 ↓
Mid Mid (pH 6-8) 1.65 5.74 -33.3 3 5 1 66 283.392 6 ↓
Mid Mid (pH 6-8) 1.65 4.1 -42.81 3 5 1 66 283.392 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.65 3.4 -5.03 2 5 0 65 282.384 6 ↓
Mid Mid (pH 6-8) 1.65 5.52 -32.49 3 5 1 66 283.392 6 ↓
Mid Mid (pH 6-8) 1.65 4.02 -44.32 3 5 1 66 283.392 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylam (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 0.89 2.64 -44.49 4 5 1 72 282.408 6 ↓
Hi High (pH 8-9.5) 0.89 1.39 -6.61 3 5 0 68 281.4 6 ↓
Lo Low (pH 4.5-6) 0.89 1.97 -31.69 4 5 1 69 282.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(ethylam (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 0.89 1.36 -44.29 4 5 1 72 282.408 6 ↓
Hi High (pH 8-9.5) 0.89 0.4 -5.6 3 5 0 68 281.4 6 ↓
Lo Low (pH 4.5-6) 0.89 2.02 -29.41 4 5 1 69 282.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(propyla (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) -0.07 6.03 -33.92 2 5 0 69 296.411 7 ↓
Hi High (pH 8-9.5) -0.07 5.03 -47.06 1 5 -1 65 295.403 7 ↓
Lo Low (pH 4.5-6) -0.07 8.11 -65.89 3 5 1 70 297.419 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(propyla (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) -0.07 5.85 -30.57 2 5 0 69 296.411 7 ↓
Hi High (pH 8-9.5) -0.07 4.31 -47.7 1 5 -1 65 295.403 7 ↓
Lo Low (pH 4.5-6) -0.07 7.66 -60.48 3 5 1 70 297.419 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(isoprop (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) -0.28 5.19 -28.84 2 5 0 69 296.411 6 ↓
Hi High (pH 8-9.5) -0.28 3.85 -44.25 1 5 -1 65 295.403 6 ↓
Lo Low (pH 4.5-6) -0.28 6.99 -70.16 3 5 1 70 297.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(isoprop (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) -0.28 5.53 -29.79 2 5 0 69 296.411 6 ↓
Hi High (pH 8-9.5) -0.28 6.74 -43.56 1 5 -1 65 295.403 6 ↓
Lo Low (pH 4.5-6) -0.28 7.39 -57.64 3 5 1 70 297.419 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.02 6.42 -5.39 1 5 0 51 296.411 7 ↓
Mid Mid (pH 6-8) 2.02 6.5 -34.38 2 5 1 52 297.419 7 ↓
Mid Mid (pH 6-8) 2.02 7.57 -39.36 2 5 1 55 297.419 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.02 6.51 -4.88 1 5 0 51 296.411 7 ↓
Mid Mid (pH 6-8) 2.02 7.66 -31.38 2 5 1 52 297.419 7 ↓
Mid Mid (pH 6-8) 2.02 6.46 -36.51 2 5 1 55 297.419 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(methyla (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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 1.81 -47.13 4 5 1 72 268.381 5 ↓
Mid Mid (pH 6-8) 0.52 1.04 -31.68 4 5 1 69 268.381 5 ↓
Mid Mid (pH 6-8) 0.52 0.48 -6.81 3 5 0 68 267.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(methyla (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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 1.15 -45.07 4 5 1 72 268.381 5 ↓
Mid Mid (pH 6-8) 0.52 -0.43 -6.66 3 5 0 68 267.373 5 ↓
Mid Mid (pH 6-8) 0.52 2.03 -34.98 4 5 1 69 268.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(propyla (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 3.39 -45.33 4 5 1 72 296.435 7 ↓
Hi High (pH 8-9.5) 1.39 2.17 -6.58 3 5 0 68 295.427 7 ↓
Lo Low (pH 4.5-6) 1.39 2.71 -31.9 4 5 1 69 296.435 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(propyla (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 2.12 -44.92 4 5 1 72 296.435 7 ↓
Hi High (pH 8-9.5) 1.39 1.16 -5.42 3 5 0 68 295.427 7 ↓
Lo Low (pH 4.5-6) 1.39 2.78 -29.69 4 5 1 69 296.435 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(isoprop (2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.19 1.76 -40.2 4 5 1 72 296.435 6 ↓
Hi High (pH 8-9.5) 1.19 0.46 -6.33 3 5 0 68 295.427 6 ↓
Lo Low (pH 4.5-6) 1.19 2.91 -35.98 4 5 1 69 296.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(isoprop (2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 1.19 3.4 -39.71 4 5 1 72 296.435 6 ↓
Hi High (pH 8-9.5) 1.19 1.8 -5.9 3 5 0 68 295.427 6 ↓
Lo Low (pH 4.5-6) 1.19 4.87 -115.58 5 5 2 73 297.443 6 ↓

Parameters Provided:

ring.id = 244705
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 = 244705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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