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Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-tetrahydropyran-4-yloxy-ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-tetrahyd…

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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) 2.19 5.48 -36.87 2 3 1 35 228.356 7 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-tetrahydropyran-4-yloxy-ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-tetrahyd…

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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) 2.19 5.42 -35.89 2 3 1 35 228.356 7 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-tetrahydropyran-4-yloxy-ethanamine (1S)-1-cyclopropyl-2-tetrahydrop…

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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) 0.40 2.34 -39.66 3 3 1 46 186.275 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-tetrahydropyran-4-yloxy-ethanamine (1R)-1-cyclopropyl-2-tetrahydrop…

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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) 0.40 2.32 -39.11 3 3 1 46 186.275 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-tetrahydropyran-4-yloxy-ethanamine (1R)-1-cyclopropyl-N-ethyl-2-tet…

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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) 1.69 4.72 -36.13 2 3 1 35 214.329 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-tetrahydropyran-4-yloxy-ethanamine (1S)-1-cyclopropyl-N-ethyl-2-tet…

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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) 1.69 4.66 -35.14 2 3 1 35 214.329 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-tetrahydropyran-4-yloxy-ethanamine (1R)-1-cyclopropyl-N-methyl-2-te…

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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) 1.31 3.68 -34.57 2 3 1 35 200.302 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-tetrahydropyran-4-yloxy-ethanamine (1S)-1-cyclopropyl-N-methyl-2-te…

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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) 1.31 4.57 -35.39 2 3 1 35 200.302 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-tetrahydropyran-4-yloxy-propanenitrile (2R)-2-cyclopropyl-2-(methylamin…

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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) 1.17 2.24 -7.04 1 4 0 54 224.304 5 ↓
Lo Low (pH 4.5-6) 1.17 3.54 -49.56 2 4 1 59 225.312 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-tetrahydropyran-4-yloxy-propanenitrile (2S)-2-cyclopropyl-2-(methylamin…

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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) 1.17 2.24 -9.59 1 4 0 54 224.304 5 ↓
Lo Low (pH 4.5-6) 1.17 3.55 -50.31 2 4 1 59 225.312 5 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-tetrahydropyran-4-yloxy-propanenitrile (2S)-2-amino-2-cyclopropyl-3-tet…

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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 1.74 -9 2 4 0 68 210.277 4 ↓
Lo Low (pH 4.5-6) 0.80 2.12 -48.69 3 4 1 70 211.285 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-tetrahydropyran-4-yloxy-propanenitrile (2R)-2-amino-2-cyclopropyl-3-tet…

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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 2.23 -8.59 2 4 0 68 210.277 4 ↓
Lo Low (pH 4.5-6) 0.80 2.51 -49.49 3 4 1 70 211.285 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-tetrahydropyran-4-yloxy-ethanol (1S)-1-cyclopropyl-2-tetrahydrop…

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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 1.93 -4.9 1 3 0 39 186.251 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-tetrahydropyran-4-yloxy-ethanol (1R)-1-cyclopropyl-2-tetrahydrop…

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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 1.91 -4.97 1 3 0 39 186.251 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-tetrahydropyran-4-yloxy-propanenitrile (2R)-2-cyclopropyl-2-(ethylamino…

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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) 1.54 3.15 -6.73 1 4 0 54 238.331 6 ↓
Lo Low (pH 4.5-6) 1.54 4.7 -46.67 2 4 1 59 239.339 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-tetrahydropyran-4-yloxy-propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…

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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) 1.54 3.15 -9.42 1 4 0 54 238.331 6 ↓
Lo Low (pH 4.5-6) 1.54 4.86 -47.45 2 4 1 59 239.339 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(propylamino)-3-tetrahydropyran-4-yloxy-propanenitrile (2R)-2-cyclopropyl-2-(propylamin…

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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) 2.05 3.91 -6.71 1 4 0 54 252.358 7 ↓
Lo Low (pH 4.5-6) 2.05 5.46 -47.63 2 4 1 59 253.366 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(propylamino)-3-tetrahydropyran-4-yloxy-propanenitrile (2S)-2-cyclopropyl-2-(propylamin…

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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) 2.05 3.91 -9.43 1 4 0 54 252.358 7 ↓
Lo Low (pH 4.5-6) 2.05 5.62 -48.42 2 4 1 59 253.366 7 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(isopropylamino)-3-tetrahydropyran-4-yloxy-propanenitrile (2R)-2-cyclopropyl-2-(isopropyla…

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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) 1.84 3.72 -7.32 1 4 0 54 252.358 6 ↓
Lo Low (pH 4.5-6) 1.84 5.05 -45.77 2 4 1 59 253.366 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(isopropylamino)-3-tetrahydropyran-4-yloxy-propanenitrile (2S)-2-cyclopropyl-2-(isopropyla…

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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) 1.84 3.85 -9.55 1 4 0 54 252.358 6 ↓
Lo Low (pH 4.5-6) 1.84 5.18 -46.44 2 4 1 59 253.366 6 ↓

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) 2.12 5.13 -8.07 1 5 0 57 285.384 9 ↓
Mid Mid (pH 6-8) 2.12 6.12 -43.36 2 5 1 61 286.392 9 ↓

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) 2.12 5.41 -6.84 1 5 0 57 285.384 9 ↓
Mid Mid (pH 6-8) 2.12 5.97 -43.24 2 5 1 61 286.392 9 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(propylamino)-3-tetrahydropyran-4-yloxy-propanamide (2R)-2-cyclopropyl-2-(propylamin…

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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 2.49 -48.33 4 5 1 78 271.381 8 ↓
Hi High (pH 8-9.5) 0.99 1.34 -9.15 3 5 0 74 270.373 8 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(propylamino)-3-tetrahydropyran-4-yloxy-propanamide (2S)-2-cyclopropyl-2-(propylamin…

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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 2.34 -48.07 4 5 1 78 271.381 8 ↓
Hi High (pH 8-9.5) 0.99 1.23 -8.08 3 5 0 74 270.373 8 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-tetrahydropyran-4-yloxy-propanoic (2R)-2-cyclopropyl-2-(ethylamino…

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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) -0.97 5.8 -37.09 2 5 0 75 257.33 7 ↓
Hi High (pH 8-9.5) -0.97 4.45 -47.42 1 5 -1 71 256.322 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-tetrahydropyran-4-yloxy-propanoic (2S)-2-cyclopropyl-2-(ethylamino…

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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) -0.97 5.66 -35.61 2 5 0 75 257.33 7 ↓
Hi High (pH 8-9.5) -0.97 4.33 -49.01 1 5 -1 71 256.322 7 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(isopropylamino)-3-tetrahydropyran-4-yloxy-propanamide (2R)-2-cyclopropyl-2-(isopropyla…

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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) 0.79 2.4 -46.61 4 5 1 78 271.381 7 ↓
Hi High (pH 8-9.5) 0.79 0.98 -7.66 3 5 0 74 270.373 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(isopropylamino)-3-tetrahydropyran-4-yloxy-propanamide (2S)-2-cyclopropyl-2-(isopropyla…

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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) 0.79 2.29 -46.35 4 5 1 78 271.381 7 ↓
Hi High (pH 8-9.5) 0.79 0.77 -9 3 5 0 74 270.373 7 ↓

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) 1.62 4.36 -8.21 1 5 0 57 271.357 8 ↓
Mid Mid (pH 6-8) 1.62 5.21 -34.87 2 5 1 61 272.365 8 ↓

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) 1.62 4.65 -6.94 1 5 0 57 271.357 8 ↓
Mid Mid (pH 6-8) 1.62 5.21 -33.91 2 5 1 61 272.365 8 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-tetrahydropyran-4-yloxy-propanamide (2R)-2-cyclopropyl-2-(methylamin…

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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) 0.12 0.43 -51.81 4 5 1 78 243.327 6 ↓
Mid Mid (pH 6-8) 0.12 0.02 -6.27 3 5 0 74 242.319 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-tetrahydropyran-4-yloxy-propanamide (2S)-2-cyclopropyl-2-(methylamin…

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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) 0.12 0.45 -51.53 4 5 1 78 243.327 6 ↓
Mid Mid (pH 6-8) 0.12 0.11 -7.75 3 5 0 74 242.319 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(isopropylamino)-3-tetrahydropyran-4-yloxy-propanoic (2R)-2-cyclopropyl-2-(isopropyla…

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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) -0.68 5.81 -37.63 2 5 0 75 271.357 7 ↓
Hi High (pH 8-9.5) -0.68 4.87 -52.26 1 5 -1 71 270.349 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(isopropylamino)-3-tetrahydropyran-4-yloxy-propanoic (2S)-2-cyclopropyl-2-(isopropyla…

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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) -0.68 5.79 -36.24 2 5 0 75 271.357 7 ↓
Hi High (pH 8-9.5) -0.68 5.65 -48.37 1 5 -1 71 270.349 7 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-tetrahydropyran-4-yloxy-propanamide (2R)-2-cyclopropyl-2-(ethylamino…

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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 1.73 -47.54 4 5 1 78 257.354 7 ↓
Hi High (pH 8-9.5) 0.49 0.58 -9.18 3 5 0 74 256.346 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-tetrahydropyran-4-yloxy-propanamide (2S)-2-cyclopropyl-2-(ethylamino…

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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 1.58 -47.28 4 5 1 78 257.354 7 ↓
Hi High (pH 8-9.5) 0.49 0.47 -8.13 3 5 0 74 256.346 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) 1.62 4.59 -4.58 1 5 0 57 271.357 8 ↓
Mid Mid (pH 6-8) 1.62 5.79 -35.16 2 5 1 61 272.365 8 ↓

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) 1.62 4.64 -5.06 1 5 0 57 271.357 8 ↓
Mid Mid (pH 6-8) 1.62 5.76 -36.23 2 5 1 61 272.365 8 ↓

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) 2.29 6.83 -32.5 2 5 1 61 300.419 9 ↓
Mid Mid (pH 6-8) 2.29 5.54 -4.27 1 5 0 57 299.411 9 ↓

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) 2.29 6.63 -32.96 2 5 1 61 300.419 9 ↓
Mid Mid (pH 6-8) 2.29 5.69 -4.62 1 5 0 57 299.411 9 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-tetrahydropyran-4-yloxy-propanoic (2R)-2-cyclopropyl-2-(methylamin…

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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) -1.35 4.19 -35.99 2 5 0 75 243.303 6 ↓
Hi High (pH 8-9.5) -1.35 2.87 -49.58 1 5 -1 71 242.295 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-tetrahydropyran-4-yloxy-propanoic (2S)-2-cyclopropyl-2-(methylamin…

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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) -1.35 4.16 -38.43 2 5 0 75 243.303 6 ↓
Hi High (pH 8-9.5) -1.35 2.89 -50.7 1 5 -1 71 242.295 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) 2.50 6.89 -34.73 2 5 1 61 300.419 10 ↓
Mid Mid (pH 6-8) 2.50 6.18 -4.43 1 5 0 57 299.411 10 ↓

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) 2.50 6.9 -33.77 2 5 1 61 300.419 10 ↓
Mid Mid (pH 6-8) 2.50 6.34 -4.76 1 5 0 57 299.411 10 ↓

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) 1.92 4.72 -6.44 1 5 0 57 285.384 8 ↓
Mid Mid (pH 6-8) 1.92 5.87 -41.47 2 5 1 61 286.392 8 ↓

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) 1.92 4.54 -6.55 1 5 0 57 285.384 8 ↓
Mid Mid (pH 6-8) 1.92 5.71 -41.06 2 5 1 61 286.392 8 ↓

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) 0.87 2.74 -5.34 2 5 0 71 243.303 6 ↓
Mid Mid (pH 6-8) 0.87 3.04 -39.96 3 5 1 72 244.311 6 ↓

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) 0.87 2.72 -4.96 2 5 0 71 243.303 6 ↓
Mid Mid (pH 6-8) 0.87 3.02 -41.19 3 5 1 72 244.311 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(propylamino)-3-tetrahydropyran-4-yloxy-propanoic (2R)-2-cyclopropyl-2-(propylamin…

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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) -0.47 6.56 -36.46 2 5 0 75 271.357 8 ↓
Hi High (pH 8-9.5) -0.47 5.19 -47.73 1 5 -1 71 270.349 8 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(propylamino)-3-tetrahydropyran-4-yloxy-propanoic (2S)-2-cyclopropyl-2-(propylamin…

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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) -0.47 6.42 -35.04 2 5 0 75 271.357 8 ↓
Hi High (pH 8-9.5) -0.47 5.09 -49.21 1 5 -1 71 270.349 8 ↓

Parameters Provided:

ring.id = 250729
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 = 250729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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