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Analogs

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Popular Name: [(3S)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydrothiopyran-3-yl]methanamine [(3S)-3-(4-ethyl-4-methyl-1-pipe…

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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) 2.03 6.47 -121.87 4 2 2 32 258.475 3 ↓
Hi High (pH 8-9.5) 2.03 3.87 -1.34 2 2 0 29 256.459 3 ↓
Mid Mid (pH 6-8) 2.03 6.01 -29.26 3 2 1 30 257.467 3 ↓

Analogs

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Popular Name: [(3R)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydrothiopyran-3-yl]methanamine [(3R)-3-(4-ethyl-4-methyl-1-pipe…

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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) 2.03 6.49 -121.74 4 2 2 32 258.475 3 ↓
Hi High (pH 8-9.5) 2.03 4.27 -0.57 2 2 0 29 256.459 3 ↓
Mid Mid (pH 6-8) 2.03 4.61 -41.49 3 2 1 31 257.467 3 ↓

Analogs

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Popular Name: [(3S)-3-(4,4-diethyl-1-piperidyl)tetrahydrothiopyran-3-yl]methanamine [(3S)-3-(4,4-diethyl-1-piperidyl…

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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) 2.36 6.94 -121.07 4 2 2 32 272.502 4 ↓
Hi High (pH 8-9.5) 2.36 4.39 -0.77 2 2 0 29 270.486 4 ↓
Mid Mid (pH 6-8) 2.36 5.21 -39.18 3 2 1 31 271.494 4 ↓

Analogs

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Popular Name: [(3R)-3-(4,4-diethyl-1-piperidyl)tetrahydrothiopyran-3-yl]methanamine [(3R)-3-(4,4-diethyl-1-piperidyl…

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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) 2.36 6.96 -123.07 4 2 2 32 272.502 4 ↓
Hi High (pH 8-9.5) 2.36 4.34 -1.33 2 2 0 29 270.486 4 ↓
Mid Mid (pH 6-8) 2.36 6.59 -31.68 3 2 1 30 271.494 4 ↓

Analogs

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Popular Name: (3R,4R)-4-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]piperidin-3-amine (3R,4R)-4-methyl-1-[(3R)-tetrahy…

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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) 1.00 5.7 -117.4 4 2 2 32 216.394 1 ↓
Hi High (pH 8-9.5) 1.00 3.58 -40.96 3 2 1 31 215.386 1 ↓
Mid Mid (pH 6-8) 1.00 5.33 -30.82 3 2 1 30 215.386 1 ↓

Analogs

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Popular Name: (3R,4S)-4-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]piperidin-3-amine (3R,4S)-4-methyl-1-[(3R)-tetrahy…

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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) 1.00 5.3 -115.36 4 2 2 32 216.394 1 ↓
Hi High (pH 8-9.5) 1.00 2.97 -42.07 3 2 1 31 215.386 1 ↓
Mid Mid (pH 6-8) 1.00 5 -33.41 3 2 1 30 215.386 1 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]ethanamine 2-[(2S)-1-[(3R)-tetrahydrothiopy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 4.03 -42.62 3 2 1 31 229.413 3 ↓
Mid Mid (pH 6-8) 1.23 5.66 -105.73 4 2 2 32 230.421 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]ethanamine 2-[(2R)-1-[(3R)-tetrahydrothiopy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 3.6 -43.23 3 2 1 31 229.413 3 ↓
Mid Mid (pH 6-8) 1.23 5.63 -103.82 4 2 2 32 230.421 3 ↓

Analogs

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Popular Name: [(2R,6R)-6-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]methanamine [(2R,6R)-6-methyl-1-[(3R)-tetrah…

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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 5.69 -117.83 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.29 3.57 -1.38 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.29 5.26 -27 3 2 1 30 229.413 2 ↓

Analogs

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Popular Name: [(2R,6S)-6-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]methanamine [(2R,6S)-6-methyl-1-[(3R)-tetrah…

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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 5.6 -119.25 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.29 4 -1.5 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.29 3.18 -46.91 3 2 1 31 229.413 2 ↓

Analogs

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Popular Name: [(2S,6R)-6-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]methanamine [(2S,6R)-6-methyl-1-[(3R)-tetrah…

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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 4.93 -115.5 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.29 3.49 -1.63 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.29 5.73 -28.37 3 2 1 30 229.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-6-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]methanamine [(2S,6S)-6-methyl-1-[(3R)-tetrah…

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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 5.93 -117.81 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.29 3.8 -1.44 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.29 5.54 -27.87 3 2 1 30 229.413 2 ↓

Analogs

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Popular Name: 2-[(3R)-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]ethanamine 2-[(3R)-1-[(3R)-tetrahydrothiopy…

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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) 1.11 6.03 -96.7 4 2 2 32 230.421 3 ↓
Hi High (pH 8-9.5) 1.11 3.72 -44.35 3 2 1 31 229.413 3 ↓

Analogs

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Popular Name: 2-[(3S)-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]ethanamine 2-[(3S)-1-[(3R)-tetrahydrothiopy…

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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) 1.11 6.03 -97.84 4 2 2 32 230.421 3 ↓
Hi High (pH 8-9.5) 1.11 3.69 -43.14 3 2 1 31 229.413 3 ↓

Analogs

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Popular Name: (1S)-1-[(3R)-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]ethanamine (1S)-1-[(3R)-1-[(3R)-tetrahydrot…

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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) 1.24 3.62 -41.87 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.24 5.95 -111.85 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: (1R)-1-[(3R)-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]ethanamine (1R)-1-[(3R)-1-[(3R)-tetrahydrot…

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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) 1.24 3.73 -41.9 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.24 6.07 -109.87 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: (1S)-1-[(3S)-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]ethanamine (1S)-1-[(3S)-1-[(3R)-tetrahydrot…

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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) 1.24 3.74 -43.59 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.24 6.05 -107.83 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: (1R)-1-[(3S)-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]ethanamine (1R)-1-[(3S)-1-[(3R)-tetrahydrot…

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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) 1.24 3.63 -44.76 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.24 5.94 -109.22 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: [(2S,3R)-3-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]methanamine [(2S,3R)-3-methyl-1-[(3R)-tetrah…

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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) 1.20 3.77 -46.15 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.20 6.02 -28.66 3 2 1 30 229.413 2 ↓
Mid Mid (pH 6-8) 1.20 5.49 -115.03 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: [(2S,3S)-3-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]methanamine [(2S,3S)-3-methyl-1-[(3R)-tetrah…

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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) 1.20 3.96 -41.62 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.20 5.82 -118.68 4 2 2 32 230.421 2 ↓
Mid Mid (pH 6-8) 1.20 6.01 -29.19 3 2 1 30 229.413 2 ↓

Analogs

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Popular Name: [(3R,6R)-6-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]methanamine [(3R,6R)-6-methyl-1-[(3R)-tetrah…

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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 3.5 -44.43 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.17 5.59 -103.87 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: [(3R,6S)-6-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]methanamine [(3R,6S)-6-methyl-1-[(3R)-tetrah…

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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 3.6 -45.44 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.17 5.68 -105.34 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: [(3S,6R)-6-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]methanamine [(3S,6R)-6-methyl-1-[(3R)-tetrah…

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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 3.61 -45.04 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.17 5.67 -104.96 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: [(3S,6S)-6-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]-3-piperidyl]methanamine [(3S,6S)-6-methyl-1-[(3R)-tetrah…

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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 3.49 -45.71 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.17 5.56 -105.37 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: 2-[1-[(3S)-tetrahydrothiopyran-3-yl]-4-piperidyl]ethanamine 2-[1-[(3S)-tetrahydrothiopyran-3…

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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 6.05 -95.49 4 2 2 32 230.421 3 ↓
Hi High (pH 8-9.5) 1.29 3.68 -43.38 3 2 1 31 229.413 3 ↓

Analogs

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Popular Name: 2-[1-[(3R)-tetrahydrothiopyran-3-yl]-4-piperidyl]ethanamine 2-[1-[(3R)-tetrahydrothiopyran-3…

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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 6.05 -95.14 4 2 2 32 230.421 3 ↓
Hi High (pH 8-9.5) 1.29 3.74 -43.74 3 2 1 31 229.413 3 ↓

Analogs

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Popular Name: N-methyl-2-[1-[(3R)-tetrahydrothiopyran-3-yl]-4-piperidyl]ethanamine N-methyl-2-[1-[(3R)-tetrahydroth…

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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) 2.27 7.93 -91.66 3 2 2 21 244.448 4 ↓
Hi High (pH 8-9.5) 2.27 5.6 -38.75 2 2 1 20 243.44 4 ↓

Analogs

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Popular Name: N-methyl-2-[1-[(3S)-tetrahydrothiopyran-3-yl]-4-piperidyl]ethanamine N-methyl-2-[1-[(3S)-tetrahydroth…

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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) 2.27 7.93 -91.25 3 2 2 21 244.448 4 ↓
Hi High (pH 8-9.5) 2.27 5.62 -39.04 2 2 1 20 243.44 4 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[(3R)-tetrahy…

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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 5.45 -40.15 2 2 1 20 243.44 4 ↓
Mid Mid (pH 6-8) 2.21 7.51 -101.59 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-1-[(3R)-tetrahydrothiopyran-3-yl]-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-[(3R)-tetrahy…

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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 5.46 -38.34 2 2 1 20 243.44 4 ↓
Mid Mid (pH 6-8) 2.21 7.51 -99.67 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: [(3S)-3-(3,3-dimethyl-1-piperidyl)tetrahydrothiopyran-3-yl]methanamine [(3S)-3-(3,3-dimethyl-1-piperidy…

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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 4.68 -41.91 3 2 1 31 243.44 2 ↓
Mid Mid (pH 6-8) 1.69 6.14 -117.6 4 2 2 32 244.448 2 ↓
Mid Mid (pH 6-8) 1.69 5.7 -28.22 3 2 1 30 243.44 2 ↓

Analogs

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Popular Name: [(3R)-3-(3,3-dimethyl-1-piperidyl)tetrahydrothiopyran-3-yl]methanamine [(3R)-3-(3,3-dimethyl-1-piperidy…

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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 4.75 -42.25 3 2 1 31 243.44 2 ↓
Mid Mid (pH 6-8) 1.69 6.17 -118.32 4 2 2 32 244.448 2 ↓
Mid Mid (pH 6-8) 1.69 5.81 -29.39 3 2 1 30 243.44 2 ↓

Parameters Provided:

ring.id = 317560
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 = 317560 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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