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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2R,4S)-2-methyl-4-(1-methylimid…

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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) 0.24 2.27 -30.7 2 4 1 49 197.258 1 ↓
Mid Mid (pH 6-8) 0.24 1.85 -6.89 1 4 0 47 196.25 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2S,4S)-2-methyl-4-(1-methylimid…

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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) 0.24 2.41 -30.7 2 4 1 49 197.258 1 ↓
Mid Mid (pH 6-8) 0.24 1.99 -6.73 1 4 0 47 196.25 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2R,4R)-2-methyl-4-(1-methylimid…

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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) 0.24 2.54 -30.73 2 4 1 49 197.258 1 ↓
Mid Mid (pH 6-8) 0.24 2.12 -6.71 1 4 0 47 196.25 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2S,4R)-2-methyl-4-(1-methylimid…

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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) 0.24 2.41 -30.65 2 4 1 49 197.258 1 ↓
Mid Mid (pH 6-8) 0.24 1.99 -6.92 1 4 0 47 196.25 1 ↓

Analogs

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Popular Name: (2R,4S)-4-(1-ethylimidazol-2-yl)-2-methyl-tetrahydropyran-4-ol (2R,4S)-4-(1-ethylimidazol-2-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) 0.62 3.38 -29.85 2 4 1 49 211.285 2 ↓
Mid Mid (pH 6-8) 0.62 2.97 -6.39 1 4 0 47 210.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(1-ethylimidazol-2-yl)-2-methyl-tetrahydropyran-4-ol (2R,4R)-4-(1-ethylimidazol-2-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) 0.62 3.76 -30.11 2 4 1 49 211.285 2 ↓
Mid Mid (pH 6-8) 0.62 3.34 -8.63 1 4 0 47 210.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(1-ethylimidazol-2-yl)-2-methyl-tetrahydropyran-4-ol (2S,4S)-4-(1-ethylimidazol-2-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) 0.62 3.52 -29.95 2 4 1 49 211.285 2 ↓
Mid Mid (pH 6-8) 0.62 3.11 -6.25 1 4 0 47 210.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(1-ethylimidazol-2-yl)-2-methyl-tetrahydropyran-4-ol (2S,4R)-4-(1-ethylimidazol-2-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) 0.62 3.62 -30.19 2 4 1 49 211.285 2 ↓
Mid Mid (pH 6-8) 0.62 3.19 -8.84 1 4 0 47 210.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-4-(1-propylimidazol-2-yl)tetrahydropyran-4-ol (2R,4S)-2-methyl-4-(1-propylimid…

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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) 1.12 4.14 -30.01 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.12 3.72 -6.07 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-4-(1-propylimidazol-2-yl)tetrahydropyran-4-ol (2R,4R)-2-methyl-4-(1-propylimid…

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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) 1.12 4.49 -30.06 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.12 4.08 -8.09 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-4-(1-propylimidazol-2-yl)tetrahydropyran-4-ol (2S,4S)-2-methyl-4-(1-propylimid…

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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) 1.12 4.27 -30.1 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.12 3.86 -5.95 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-4-(1-propylimidazol-2-yl)tetrahydropyran-4-ol (2S,4R)-2-methyl-4-(1-propylimid…

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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) 1.12 4.35 -30.09 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.12 3.93 -8.24 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2R,4S)-2-ethyl-4-(1-methylimida…

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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) 0.75 3.1 -30.74 2 4 1 49 211.285 2 ↓
Mid Mid (pH 6-8) 0.75 2.68 -6.72 1 4 0 47 210.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2S,4S)-2-ethyl-4-(1-methylimida…

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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) 0.75 3.2 -30.85 2 4 1 49 211.285 2 ↓
Mid Mid (pH 6-8) 0.75 2.78 -6.52 1 4 0 47 210.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2R,4R)-2-ethyl-4-(1-methylimida…

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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) 0.75 3.34 -30.79 2 4 1 49 211.285 2 ↓
Mid Mid (pH 6-8) 0.75 2.92 -6.49 1 4 0 47 210.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2S,4R)-2-ethyl-4-(1-methylimida…

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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) 0.75 3.24 -30.64 2 4 1 49 211.285 2 ↓
Mid Mid (pH 6-8) 0.75 2.82 -6.74 1 4 0 47 210.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-4-(1-ethylimidazol-2-yl)tetrahydropyran-4-ol (2R,4S)-2-ethyl-4-(1-ethylimidaz…

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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) 1.12 4.19 -30.08 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.12 3.77 -6.17 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-4-(1-ethylimidazol-2-yl)tetrahydropyran-4-ol (2S,4S)-2-ethyl-4-(1-ethylimidaz…

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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) 1.12 4.31 -30.17 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.12 3.9 -5.97 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-4-(1-ethylimidazol-2-yl)tetrahydropyran-4-ol (2R,4R)-2-ethyl-4-(1-ethylimidaz…

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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) 1.12 4.57 -30.22 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.12 4.16 -8.49 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-4-(1-ethylimidazol-2-yl)tetrahydropyran-4-ol (2S,4R)-2-ethyl-4-(1-ethylimidaz…

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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) 1.12 4.47 -30.25 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.12 4.05 -8.67 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(1-methylimidazol-2-yl)-2-propyl-tetrahydropyran-4-ol (2R,4S)-4-(1-methylimidazol-2-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) 1.31 3.87 -30.71 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.31 3.45 -6.61 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(1-methylimidazol-2-yl)-2-propyl-tetrahydropyran-4-ol (2S,4S)-4-(1-methylimidazol-2-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) 1.31 3.97 -30.87 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.31 3.56 -6.48 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(1-methylimidazol-2-yl)-2-propyl-tetrahydropyran-4-ol (2R,4R)-4-(1-methylimidazol-2-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) 1.31 4.12 -30.84 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.31 3.7 -6.44 1 4 0 47 224.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(1-methylimidazol-2-yl)-2-propyl-tetrahydropyran-4-ol (2S,4R)-4-(1-methylimidazol-2-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) 1.31 4.01 -30.65 2 4 1 49 225.312 3 ↓
Mid Mid (pH 6-8) 1.31 3.59 -6.66 1 4 0 47 224.304 3 ↓

Analogs

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Popular Name: (2S,4S)-2-isopropyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2S,4S)-2-isopropyl-4-(1-methyli…

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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 3.62 -30.85 2 4 1 49 225.312 2 ↓
Mid Mid (pH 6-8) 0.99 3.2 -6.62 1 4 0 47 224.304 2 ↓

Analogs

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Popular Name: (2R,4S)-2-isopropyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2R,4S)-2-isopropyl-4-(1-methyli…

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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 3.73 -31.12 2 4 1 49 225.312 2 ↓
Mid Mid (pH 6-8) 0.99 3.31 -6.46 1 4 0 47 224.304 2 ↓

Analogs

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Popular Name: (2S,4R)-2-isopropyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2S,4R)-2-isopropyl-4-(1-methyli…

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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 3.86 -31.41 2 4 1 49 225.312 2 ↓
Mid Mid (pH 6-8) 0.99 3.44 -6.47 1 4 0 47 224.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-isopropyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2R,4R)-2-isopropyl-4-(1-methyli…

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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 3.83 -30.61 2 4 1 49 225.312 2 ↓
Mid Mid (pH 6-8) 0.99 3.41 -6.41 1 4 0 47 224.304 2 ↓

Analogs

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Popular Name: (4S)-2,2-dimethyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (4S)-2,2-dimethyl-4-(1-methylimi…

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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) 0.69 2.65 -6.86 1 4 0 47 210.277 1 ↓
Mid Mid (pH 6-8) 0.69 3.05 -31.11 2 4 1 49 211.285 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,2-dimethyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (4R)-2,2-dimethyl-4-(1-methylimi…

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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) 0.69 2.76 -6.86 1 4 0 47 210.277 1 ↓
Mid Mid (pH 6-8) 0.69 3.2 -31.09 2 4 1 49 211.285 1 ↓

Analogs

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Popular Name: (4S)-4-(1-ethylimidazol-2-yl)-2,2-dimethyl-tetrahydropyran-4-ol (4S)-4-(1-ethylimidazol-2-yl)-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) 1.07 3.76 -6.36 1 4 0 47 224.304 2 ↓
Mid Mid (pH 6-8) 1.07 4.19 -30.29 2 4 1 49 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(1-ethylimidazol-2-yl)-2,2-dimethyl-tetrahydropyran-4-ol (4R)-4-(1-ethylimidazol-2-yl)-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) 1.07 3.99 -8.75 1 4 0 47 224.304 2 ↓
Mid Mid (pH 6-8) 1.07 4.42 -30.36 2 4 1 49 225.312 2 ↓

Analogs

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Popular Name: (2R,4S)-2-ethyl-2-methyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2R,4S)-2-ethyl-2-methyl-4-(1-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) 1.19 3.3 -6.67 1 4 0 47 224.304 2 ↓
Mid Mid (pH 6-8) 1.19 3.72 -30.92 2 4 1 49 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-2-methyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2S,4S)-2-ethyl-2-methyl-4-(1-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) 1.19 3.29 -6.69 1 4 0 47 224.304 2 ↓
Mid Mid (pH 6-8) 1.19 3.71 -31.03 2 4 1 49 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-2-methyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2R,4R)-2-ethyl-2-methyl-4-(1-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) 1.19 3.42 -6.66 1 4 0 47 224.304 2 ↓
Mid Mid (pH 6-8) 1.19 3.84 -31.04 2 4 1 49 225.312 2 ↓

Analogs

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Popular Name: (2S,4R)-2-ethyl-2-methyl-4-(1-methylimidazol-2-yl)tetrahydropyran-4-ol (2S,4R)-2-ethyl-2-methyl-4-(1-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) 1.19 3.5 -6.63 1 4 0 47 224.304 2 ↓
Mid Mid (pH 6-8) 1.19 3.92 -30.86 2 4 1 49 225.312 2 ↓

Analogs

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Popular Name: 2-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-1-(3-ethoxypropyl)imidazole 2-[(4R)-2,2-dimethyltetrahydropy…

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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) 1.90 7.53 -31.24 1 4 1 38 267.393 6 ↓
Hi High (pH 8-9.5) 1.90 7.04 -9.28 0 4 0 36 266.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-1-(3-ethoxypropyl)imidazole 2-[(4S)-2,2-dimethyltetrahydropy…

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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) 1.90 7.64 -31.19 1 4 1 38 267.393 6 ↓
Hi High (pH 8-9.5) 1.90 7.04 -9.14 0 4 0 36 266.385 6 ↓

Parameters Provided:

ring.id = 281281
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 = 281281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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