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Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.17 5.38 -53.84 3 4 1 63 250.318 5 ↓
Hi High (pH 8-9.5) 2.17 4.98 -6.99 2 4 0 62 249.31 5 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.17 5.38 -54.11 3 4 1 63 250.318 5 ↓
Hi High (pH 8-9.5) 2.17 4.98 -6.94 2 4 0 62 249.31 5 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.06 3.25 -9.39 3 5 0 82 251.282 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.06 3.25 -9.13 3 5 0 82 251.282 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.06 3.28 -9.88 3 5 0 82 251.282 4 ↓
Hi High (pH 8-9.5) 2.06 4.28 -54.78 2 5 -1 85 250.274 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.06 3.28 -10.15 3 5 0 82 251.282 4 ↓
Hi High (pH 8-9.5) 2.06 4.28 -54.77 2 5 -1 85 250.274 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.20 5.39 -9.17 2 4 0 62 253.273 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.20 5.39 -10.5 2 4 0 62 253.273 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 1.97 6.16 -53.69 3 4 1 63 264.345 6 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 1.97 6.16 -53.87 3 4 1 63 264.345 6 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.21 3.63 -9.38 2 5 0 68 279.336 7 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.21 3.63 -9.32 2 5 0 68 279.336 7 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.18 2.49 -9.28 3 5 0 82 251.282 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.18 2.49 -9.15 3 5 0 82 251.282 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.15 5.37 -50.03 3 4 1 63 250.318 5 ↓
Hi High (pH 8-9.5) 2.15 4.97 -7.87 2 4 0 62 249.31 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.15 5.37 -49.69 3 4 1 63 250.318 5 ↓
Hi High (pH 8-9.5) 2.15 4.97 -7.95 2 4 0 62 249.31 5 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.39 6.06 -4.64 2 4 0 62 314.179 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.39 6.06 -4.71 2 4 0 62 314.179 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.89 6.2 -7.38 2 4 0 62 303.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.89 6.2 -7.39 2 4 0 62 303.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.92 8.05 -10.78 0 6 0 81 265.265 5 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.92 8.05 -10.78 0 6 0 81 265.265 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.40 7.91 -10.2 0 3 0 36 272.703 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.40 7.91 -10.06 0 3 0 36 272.703 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.15 7.41 -5.57 0 3 0 36 238.258 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.15 7.41 -5.57 0 3 0 36 238.258 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.86 8.33 -7.41 0 3 0 36 288.265 5 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.86 8.33 -7.39 0 3 0 36 288.265 5 ↓

Analogs

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Popular Name: oxan-2-ylmethyl-2-fluorobenzoate oxan-2-ylmethyl-2-fluorobenzoate

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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) 2.77 7.38 -9.95 0 3 0 36 238.258 4 ↓

Analogs

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Popular Name: oxan-2-ylmethyl-2-fluorobenzoate oxan-2-ylmethyl-2-fluorobenzoate

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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) 2.77 7.37 -9.93 0 3 0 36 238.258 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.88 8.35 -5.54 0 3 0 36 288.265 5 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.88 8.35 -5.53 0 3 0 36 288.265 5 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.50 8.15 -9.87 0 3 0 36 288.265 5 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.50 8.15 -9.87 0 3 0 36 288.265 5 ↓

Analogs

39030853
39030853

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.11 6.72 -10.07 0 5 0 54 280.32 6 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.11 6.72 -10.07 0 5 0 54 280.32 6 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.81 8.66 -6.75 0 3 0 36 248.322 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.81 8.66 -6.72 0 3 0 36 248.322 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.90 8.78 -6.39 0 3 0 36 248.322 5 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.90 8.78 -6.36 0 3 0 36 248.322 5 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.93 8.14 -12.93 0 7 0 91 295.291 6 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 2.93 8.14 -12.92 0 7 0 91 295.291 6 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 3.73 7.92 -8.65 0 4 0 45 284.739 5 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]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) 3.73 7.92 -8.64 0 4 0 45 284.739 5 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.72 7.72 -9.58 0 4 0 59 245.278 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]methyl

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Activity (Go SEA)

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) 2.72 7.72 -9.58 0 4 0 59 245.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.47 8.55 -6.29 0 3 0 36 248.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.47 8.55 -6.2 0 3 0 36 248.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.40 6.85 -6.19 2 4 0 62 263.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.40 6.85 -6.12 2 4 0 62 263.337 4 ↓

Parameters Provided:

ring.id = 22185
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 = 22185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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