UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(4-ethyl-4-methyl-1-piperidyl)tetrahydrothiopyran-4-yl]methanamine [4-(4-ethyl-4-methyl-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) 2.03 6.37 -127.83 4 2 2 32 258.475 3 ↓
Hi High (pH 8-9.5) 2.03 4.66 -45.45 3 2 1 31 257.467 3 ↓
Mid Mid (pH 6-8) 2.03 5.89 -31.03 3 2 1 30 257.467 3 ↓

Analogs

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

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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 6.84 -129.27 4 2 2 32 272.502 4 ↓
Hi High (pH 8-9.5) 2.36 5.13 -45.41 3 2 1 31 271.494 4 ↓
Mid Mid (pH 6-8) 2.36 6.48 -33.5 3 2 1 30 271.494 4 ↓

Analogs

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

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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 5.65 -120.05 4 2 2 32 216.394 1 ↓
Hi High (pH 8-9.5) 1.00 3.53 -40.94 3 2 1 31 215.386 1 ↓
Mid Mid (pH 6-8) 1.00 5.27 -33.07 3 2 1 30 215.386 1 ↓

Analogs

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

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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 5.25 -117.66 4 2 2 32 216.394 1 ↓
Hi High (pH 8-9.5) 1.00 2.95 -44.07 3 2 1 31 215.386 1 ↓
Mid Mid (pH 6-8) 1.00 4.94 -35.15 3 2 1 30 215.386 1 ↓

Analogs

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

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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 5.62 -109.81 4 2 2 32 230.421 3 ↓
Hi High (pH 8-9.5) 1.23 5.25 -33.35 3 2 1 30 229.413 3 ↓
Mid Mid (pH 6-8) 1.23 3.57 -47.2 3 2 1 31 229.413 3 ↓

Analogs

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

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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 5.62 -109.77 4 2 2 32 230.421 3 ↓
Hi High (pH 8-9.5) 1.23 5.26 -33.44 3 2 1 30 229.413 3 ↓
Mid Mid (pH 6-8) 1.23 3.57 -47.04 3 2 1 31 229.413 3 ↓

Analogs

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Popular Name: [(2R,6R)-6-methyl-1-tetrahydrothiopyran-4-yl-2-piperidyl]methanamine [(2R,6R)-6-methyl-1-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) 1.29 5.64 -122.77 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.29 3.51 -1.48 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.29 4.17 -41.74 3 2 1 31 229.413 2 ↓

Analogs

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Popular Name: [(2R,6S)-6-methyl-1-tetrahydrothiopyran-4-yl-2-piperidyl]methanamine [(2R,6S)-6-methyl-1-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) 1.29 5.51 -123.83 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.29 3.96 -1.95 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.29 3.13 -47.84 3 2 1 31 229.413 2 ↓

Analogs

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Popular Name: [(2S,6R)-6-methyl-1-tetrahydrothiopyran-4-yl-2-piperidyl]methanamine [(2S,6R)-6-methyl-1-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) 1.29 4.89 -118.63 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.29 2.82 -1.85 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.29 3.14 -47.97 3 2 1 31 229.413 2 ↓

Analogs

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Popular Name: [(2S,6S)-6-methyl-1-tetrahydrothiopyran-4-yl-2-piperidyl]methanamine [(2S,6S)-6-methyl-1-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) 1.29 5.85 -116.32 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.29 3.7 -1.01 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.29 3.38 -44.35 3 2 1 31 229.413 2 ↓

Analogs

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

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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 5.98 -99.68 4 2 2 32 230.421 3 ↓
Hi High (pH 8-9.5) 1.11 3.67 -43.44 3 2 1 31 229.413 3 ↓

Analogs

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

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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 5.98 -99.65 4 2 2 32 230.421 3 ↓
Hi High (pH 8-9.5) 1.11 3.66 -44.26 3 2 1 31 229.413 3 ↓

Analogs

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

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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 5.89 -113.58 4 2 2 32 230.421 2 ↓
Mid Mid (pH 6-8) 1.24 3.58 -44.39 3 2 1 31 229.413 2 ↓

Analogs

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

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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 6.01 -112.88 4 2 2 32 230.421 2 ↓
Mid Mid (pH 6-8) 1.24 3.73 -44.44 3 2 1 31 229.413 2 ↓

Analogs

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

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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 6 -112.47 4 2 2 32 230.421 2 ↓
Mid Mid (pH 6-8) 1.24 3.68 -44.28 3 2 1 31 229.413 2 ↓

Analogs

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

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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 5.89 -113.65 4 2 2 32 230.421 2 ↓
Mid Mid (pH 6-8) 1.24 3.55 -44.4 3 2 1 31 229.413 2 ↓

Analogs

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Popular Name: [(2S,3R)-3-methyl-1-tetrahydrothiopyran-4-yl-2-piperidyl]methanamine [(2S,3R)-3-methyl-1-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) 1.20 5.47 -118.97 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.20 3.39 -1.46 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.20 5.13 -32.7 3 2 1 30 229.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S)-3-methyl-1-tetrahydrothiopyran-4-yl-2-piperidyl]methanamine [(2S,3S)-3-methyl-1-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) 1.20 5.79 -124.42 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.20 3.67 -1.27 2 2 0 29 228.405 2 ↓
Mid Mid (pH 6-8) 1.20 4 -45.57 3 2 1 31 229.413 2 ↓

Analogs

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Popular Name: [(3R,6R)-6-methyl-1-tetrahydrothiopyran-4-yl-3-piperidyl]methanamine [(3R,6R)-6-methyl-1-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) 1.17 5.53 -106.76 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.17 5.15 -33.91 3 2 1 30 229.413 2 ↓
Mid Mid (pH 6-8) 1.17 3.41 -45.58 3 2 1 31 229.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,6S)-6-methyl-1-tetrahydrothiopyran-4-yl-3-piperidyl]methanamine [(3R,6S)-6-methyl-1-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) 1.17 5.65 -105.56 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.17 5.27 -33.52 3 2 1 30 229.413 2 ↓
Mid Mid (pH 6-8) 1.17 3.58 -44.32 3 2 1 31 229.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,6R)-6-methyl-1-tetrahydrothiopyran-4-yl-3-piperidyl]methanamine [(3S,6R)-6-methyl-1-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) 1.17 5.64 -105.51 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.17 5.28 -33.83 3 2 1 30 229.413 2 ↓
Mid Mid (pH 6-8) 1.17 3.55 -44.37 3 2 1 31 229.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,6S)-6-methyl-1-tetrahydrothiopyran-4-yl-3-piperidyl]methanamine [(3S,6S)-6-methyl-1-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) 1.17 5.53 -106.75 4 2 2 32 230.421 2 ↓
Hi High (pH 8-9.5) 1.17 5.16 -34.27 3 2 1 30 229.413 2 ↓
Mid Mid (pH 6-8) 1.17 3.42 -45.59 3 2 1 31 229.413 2 ↓

Analogs

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Popular Name: 2-(1-tetrahydrothiopyran-4-yl-4-piperidyl)ethanamine 2-(1-tetrahydrothiopyran-4-yl-4-…

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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 -97.47 4 2 2 32 230.421 3 ↓

Analogs

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Popular Name: N-methyl-2-(1-tetrahydrothiopyran-4-yl-4-piperidyl)ethanamine N-methyl-2-(1-tetrahydrothiopyra…

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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 7.88 -93.56 3 2 2 21 244.448 4 ↓

Analogs

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

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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 7.48 -105.55 3 2 2 21 244.448 4 ↓
Mid Mid (pH 6-8) 2.21 5.43 -42.13 2 2 1 20 243.44 4 ↓

Analogs

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

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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 7.49 -105.43 3 2 2 21 244.448 4 ↓
Mid Mid (pH 6-8) 2.21 5.43 -42.15 2 2 1 20 243.44 4 ↓

Analogs

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Popular Name: [4-(3,3-dimethyl-1-piperidyl)tetrahydrothiopyran-4-yl]methanamine [4-(3,3-dimethyl-1-piperidyl)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 6.05 -124.63 4 2 2 32 244.448 2 ↓
Mid Mid (pH 6-8) 1.69 5.57 -29.57 3 2 1 30 243.44 2 ↓
Mid Mid (pH 6-8) 1.69 4.7 -45.49 3 2 1 31 243.44 2 ↓

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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 = 317568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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