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Analogs

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Popular Name: (2R)-2-cyclopentyl-2-[(3R)-3-methylthiomorpholin-4-yl]ethanamine (2R)-2-cyclopentyl-2-[(3R)-3-met…

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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) 1.63 3.58 -47.61 3 2 1 31 229.413 3 ↓
Mid Mid (pH 6-8) 1.63 5.34 -126.26 4 2 2 32 230.421 3 ↓

Analogs

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Popular Name: (2R)-2-cyclopentyl-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2R)-2-cyclopentyl-2-[(3S)-3-met…

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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) 1.63 3.9 -45.67 3 2 1 31 229.413 3 ↓
Mid Mid (pH 6-8) 1.63 5.76 -114.65 4 2 2 32 230.421 3 ↓

Analogs

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Popular Name: 1-[[(3R)-3-methylthiomorpholin-4-yl]methyl]cyclopentanecarbaldehyde 1-[[(3R)-3-methylthiomorpholin-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) 2.36 4.82 -4.28 0 2 0 20 227.373 3 ↓
Mid Mid (pH 6-8) 2.36 6.82 -40.48 1 2 1 22 228.381 3 ↓

Analogs

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Popular Name: 1-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanecarbaldehyde 1-[[(3S)-3-methylthiomorpholin-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) 2.36 6.05 -5.06 0 2 0 20 227.373 3 ↓
Mid Mid (pH 6-8) 2.36 7.67 -42.13 1 2 1 22 228.381 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(3R)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2S)-2-[[(3R)-3-methylthiomor…

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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 3.73 -46.91 3 2 1 31 215.386 2 ↓
Lo Low (pH 4.5-6) 1.20 5.66 -115.94 4 2 2 32 216.394 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2S)-2-[[(3S)-3-methylthiomor…

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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 3.45 -46.74 3 2 1 31 215.386 2 ↓
Lo Low (pH 4.5-6) 1.20 5.48 -115.08 4 2 2 32 216.394 2 ↓

Analogs

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Popular Name: (1S,2S)-N-methyl-2-[[(3R)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2S)-N-methyl-2-[[(3R)-3-meth…

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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) 2.11 5.65 -41.32 2 2 1 20 229.413 3 ↓
Lo Low (pH 4.5-6) 2.11 7.58 -110.12 3 2 2 21 230.421 3 ↓

Analogs

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Popular Name: (1S,2S)-N-methyl-2-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2S)-N-methyl-2-[[(3S)-3-meth…

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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) 2.11 5.37 -41.21 2 2 1 20 229.413 3 ↓
Lo Low (pH 4.5-6) 2.11 7.38 -109.25 3 2 2 21 230.421 3 ↓

Analogs

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Popular Name: (1R,2R)-N-ethyl-2-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine (1R,2R)-N-ethyl-2-[[(3S)-3-methy…

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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) 2.48 6.48 -39.94 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.48 8.4 -109.4 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: (1S,2R)-N-ethyl-2-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2R)-N-ethyl-2-[[(3S)-3-methy…

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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) 2.48 6.12 -39.55 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.48 8.04 -105.13 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: (1R,2S)-N-ethyl-2-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine (1R,2S)-N-ethyl-2-[[(3S)-3-methy…

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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) 2.48 5.88 -39.63 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.48 7.89 -106.12 3 2 2 21 244.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2S)-N-ethyl-2-[[(3S)-3-methy…

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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) 2.48 6.19 -39.78 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.48 8.21 -108.54 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[[(3R)-3-methylthiomorpholin-4-yl]methyl]cyclopentyl]methanamine N-methyl-1-[1-[[(3R)-3-methylthi…

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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) 2.33 4.95 -39.46 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.33 6.91 -102.32 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: N-methyl-1-[1-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentyl]methanamine N-methyl-1-[1-[[(3S)-3-methylthi…

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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) 2.33 4.92 -39.1 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.33 6.95 -102.43 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: [1-[[(3R)-3-methylthiomorpholin-4-yl]methyl]cyclopentyl]methanamine [1-[[(3R)-3-methylthiomorpholin-…

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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 2.97 -44.94 3 2 1 31 229.413 3 ↓
Lo Low (pH 4.5-6) 1.35 4.96 -107.56 4 2 2 32 230.421 3 ↓

Analogs

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Popular Name: [1-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentyl]methanamine [1-[[(3S)-3-methylthiomorpholin-…

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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 4.73 -44.77 3 2 1 31 229.413 3 ↓
Lo Low (pH 4.5-6) 1.35 6.15 -111.1 4 2 2 32 230.421 3 ↓

Analogs

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Popular Name: [1-[[(3R)-3-methylthiomorpholin-4-yl]methyl]cyclopentyl]methanol [1-[[(3R)-3-methylthiomorpholin-…

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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) 1.91 4.39 -38.62 2 2 1 25 230.397 3 ↓
Mid Mid (pH 6-8) 1.91 2.35 -3.74 1 2 0 23 229.389 3 ↓

Analogs

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Popular Name: [1-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentyl]methanol [1-[[(3S)-3-methylthiomorpholin-…

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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) 1.91 5.48 -35.96 2 2 1 25 230.397 3 ↓
Mid Mid (pH 6-8) 1.91 4.05 -2.96 1 2 0 23 229.389 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(3R)-3-methylthiomorpholin-4-yl]methyl]cyclopentanol (1S,2S)-2-[[(3R)-3-methylthiomor…

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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 5.05 -31.95 2 2 1 25 216.37 2 ↓
Mid Mid (pH 6-8) 1.69 3.12 -2.95 1 2 0 23 215.362 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanol (1S,2S)-2-[[(3S)-3-methylthiomor…

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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 4.87 -31.86 2 2 1 25 216.37 2 ↓
Mid Mid (pH 6-8) 1.69 2.84 -3.16 1 2 0 23 215.362 2 ↓

Analogs

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Popular Name: 1-[[(3R)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine 1-[[(3R)-3-methylthiomorpholin-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) 1.94 3.07 -40.47 3 2 1 31 215.386 2 ↓
Mid Mid (pH 6-8) 1.94 5.22 -114.81 4 2 2 32 216.394 2 ↓

Analogs

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Popular Name: 1-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cyclopentanamine 1-[[(3S)-3-methylthiomorpholin-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) 1.94 4.22 -41.88 3 2 1 31 215.386 2 ↓
Mid Mid (pH 6-8) 1.94 5.45 -112.27 4 2 2 32 216.394 2 ↓

Analogs

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Popular Name: (2R)-2-cyclopentyl-2-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]ethanamine (2R)-2-cyclopentyl-2-[(2S,6R)-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) 2.03 4.7 -47.74 3 2 1 31 243.44 3 ↓
Mid Mid (pH 6-8) 2.03 6.4 -130.76 4 2 2 32 244.448 3 ↓

Analogs

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Popular Name: (2R)-2-cyclopentyl-2-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]ethanamine (2R)-2-cyclopentyl-2-[(2S,6S)-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) 2.03 5.92 -47.36 3 2 1 31 243.44 3 ↓
Mid Mid (pH 6-8) 2.03 6.48 -129.02 4 2 2 32 244.448 3 ↓

Analogs

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Popular Name: (2R)-2-cyclopentyl-2-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]ethanamine (2R)-2-cyclopentyl-2-[(2R,6R)-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) 2.03 5.23 -47.66 3 2 1 31 243.44 3 ↓
Mid Mid (pH 6-8) 2.03 6.51 -127.71 4 2 2 32 244.448 3 ↓

Analogs

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Popular Name: 1-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanecarbaldehyde 1-[[(2S,6R)-2,6-dimethylthiomorp…

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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) 2.76 7.19 -6.24 0 2 0 20 241.4 3 ↓
Mid Mid (pH 6-8) 2.76 8.7 -41.68 1 2 1 22 242.408 3 ↓

Analogs

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Popular Name: 1-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanecarbaldehyde 1-[[(2S,6S)-2,6-dimethylthiomorp…

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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) 2.76 7.69 -5.51 0 2 0 20 241.4 3 ↓
Mid Mid (pH 6-8) 2.76 8.74 -40.77 1 2 1 22 242.408 3 ↓

Analogs

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Popular Name: 1-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanecarbaldehyde 1-[[(2R,6R)-2,6-dimethylthiomorp…

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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) 2.76 7.41 -5.08 0 2 0 20 241.4 3 ↓
Mid Mid (pH 6-8) 2.76 8.63 -43.25 1 2 1 22 242.408 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-N-methyl-cyclopentanamine (1S,2S)-2-[[(2S,6R)-2,6-dimethyl…

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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 6.46 -41.49 2 2 1 20 243.44 3 ↓
Mid Mid (pH 6-8) 2.50 8.5 -114.35 3 2 2 21 244.448 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]-N-methyl-cyclopentanamine (1S,2S)-2-[[(2S,6S)-2,6-dimethyl…

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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 6.94 -41.36 2 2 1 20 243.44 3 ↓
Mid Mid (pH 6-8) 2.50 8.55 -113.56 3 2 2 21 244.448 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-N-methyl-cyclopentanamine (1S,2S)-2-[[(2R,6R)-2,6-dimethyl…

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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 6.94 -41.23 2 2 1 20 243.44 3 ↓
Mid Mid (pH 6-8) 2.50 8.54 -113.48 3 2 2 21 244.448 3 ↓

Analogs

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Popular Name: [1-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentyl]methanamine [1-[[(2S,6R)-2,6-dimethylthiomor…

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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) 1.74 5.71 -44.65 3 2 1 31 243.44 3 ↓
Mid Mid (pH 6-8) 1.74 7.06 -114.61 4 2 2 32 244.448 3 ↓

Analogs

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Popular Name: [1-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentyl]methanamine [1-[[(2S,6S)-2,6-dimethylthiomor…

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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) 1.74 5.97 -45.64 3 2 1 31 243.44 3 ↓
Mid Mid (pH 6-8) 1.74 7.05 -113.1 4 2 2 32 244.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentyl]methanamine [1-[[(2R,6R)-2,6-dimethylthiomor…

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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) 1.74 6.13 -46.52 3 2 1 31 243.44 3 ↓
Mid Mid (pH 6-8) 1.74 6.96 -106.23 4 2 2 32 244.448 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2S)-2-[[(2S,6R)-2,6-dimethyl…

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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) 1.60 4.54 -47 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.60 6.59 -120.12 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2S)-2-[[(2S,6S)-2,6-dimethyl…

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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) 1.60 5.03 -46.9 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.60 6.65 -119.35 4 2 2 32 230.421 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanamine (1S,2S)-2-[[(2R,6R)-2,6-dimethyl…

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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) 1.60 5.02 -46.73 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 1.60 6.63 -119.22 4 2 2 32 230.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentyl]methanol [1-[[(2S,6R)-2,6-dimethylthiomor…

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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) 2.31 6.38 -38.44 2 2 1 25 244.424 3 ↓
Mid Mid (pH 6-8) 2.31 4.9 -3.04 1 2 0 23 243.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentyl]methanol [1-[[(2S,6S)-2,6-dimethylthiomor…

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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) 2.31 6.38 -37.26 2 2 1 25 244.424 3 ↓
Mid Mid (pH 6-8) 2.31 5.29 -2.84 1 2 0 23 243.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentyl]methanol [1-[[(2R,6R)-2,6-dimethylthiomor…

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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) 2.31 6.3 -35.74 2 2 1 25 244.424 3 ↓
Mid Mid (pH 6-8) 2.31 5.47 -3.43 1 2 0 23 243.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanol (1S,2S)-2-[[(2S,6R)-2,6-dimethyl…

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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) 2.09 5.96 -33.59 2 2 1 25 230.397 2 ↓
Mid Mid (pH 6-8) 2.09 3.93 -3.15 1 2 0 23 229.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanol (1S,2S)-2-[[(2S,6S)-2,6-dimethyl…

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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) 2.09 6.02 -32.74 2 2 1 25 230.397 2 ↓
Mid Mid (pH 6-8) 2.09 4.42 -2.88 1 2 0 23 229.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanol (1S,2S)-2-[[(2R,6R)-2,6-dimethyl…

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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) 2.09 6.01 -32.74 2 2 1 25 230.397 2 ↓
Mid Mid (pH 6-8) 2.09 4.41 -2.88 1 2 0 23 229.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanamine 1-[[(2S,6R)-2,6-dimethylthiomorp…

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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) 2.34 4.89 -45.77 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 2.34 6.11 -116.65 4 2 2 32 230.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanamine 1-[[(2S,6S)-2,6-dimethylthiomorp…

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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) 2.34 5.22 -41.96 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 2.34 6.48 -121.59 4 2 2 32 230.421 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanamine 1-[[(2R,6R)-2,6-dimethylthiomorp…

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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) 2.34 5.16 -42.65 3 2 1 31 229.413 2 ↓
Mid Mid (pH 6-8) 2.34 6.46 -122.51 4 2 2 32 230.421 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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