UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(3-furylmethyl)thiomorpholine 4-(3-furylmethyl)thiomorpholine

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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 6.1 -37.7 1 2 1 18 184.284 2 ↓
Mid Mid (pH 6-8) 1.07 3.92 -4.08 0 2 0 16 183.276 2 ↓

Analogs

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Popular Name: N-methyl-1-[3-(thiomorpholinomethyl)-2-furyl]methanamine N-methyl-1-[3-(thiomorpholinomet…

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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) 0.87 6.28 -110.5 3 3 2 34 228.361 4 ↓
Mid Mid (pH 6-8) 0.87 3.97 -39.1 2 3 1 33 227.353 4 ↓

Analogs

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Popular Name: N-[[3-(thiomorpholinomethyl)-2-furyl]methyl]ethanamine N-[[3-(thiomorpholinomethyl)-2-f…

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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) 1.25 7.15 -110.3 3 3 2 34 242.388 5 ↓
Mid Mid (pH 6-8) 1.25 4.83 -38.13 2 3 1 33 241.38 5 ↓

Analogs

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Popular Name: N-[[3-(thiomorpholinomethyl)-2-furyl]methyl]propan-1-amine N-[[3-(thiomorpholinomethyl)-2-f…

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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) 1.75 7.9 -112.37 3 3 2 34 256.415 6 ↓
Mid Mid (pH 6-8) 1.75 5.58 -38.81 2 3 1 33 255.407 6 ↓

Analogs

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Popular Name: N-[[3-(thiomorpholinomethyl)-2-furyl]methyl]propan-2-amine N-[[3-(thiomorpholinomethyl)-2-f…

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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) 1.54 7.7 -109.71 3 3 2 34 256.415 5 ↓
Mid Mid (pH 6-8) 1.54 5.31 -36.3 2 3 1 33 255.407 5 ↓

Analogs

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Popular Name: [3-(thiomorpholinomethyl)-2-furyl]methanamine [3-(thiomorpholinomethyl)-2-fury…

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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) 0.50 4.41 -116.97 4 3 2 45 214.334 3 ↓
Mid Mid (pH 6-8) 0.50 2.1 -44.41 3 3 1 44 213.326 3 ↓

Analogs

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Popular Name: [5-methyl-4-(thiomorpholinomethyl)-2-furyl]methanamine [5-methyl-4-(thiomorpholinomethy…

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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) 0.72 5.11 -97.76 4 3 2 45 228.361 3 ↓
Mid Mid (pH 6-8) 0.72 2.99 -45.66 3 3 1 44 227.353 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-methyl-4-(thiomorpholinomethyl)-2-furyl]methanamine N-methyl-1-[5-methyl-4-(thiomorp…

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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) 1.09 6.98 -93.05 3 3 2 34 242.388 4 ↓
Mid Mid (pH 6-8) 1.09 4.86 -40.19 2 3 1 33 241.38 4 ↓

Analogs

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Popular Name: N-[[5-methyl-4-(thiomorpholinomethyl)-2-furyl]methyl]ethanamine N-[[5-methyl-4-(thiomorpholinome…

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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) 1.47 7.79 -92.96 3 3 2 34 256.415 5 ↓
Mid Mid (pH 6-8) 1.47 5.7 -39.36 2 3 1 33 255.407 5 ↓

Analogs

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Popular Name: N-[[5-methyl-4-(thiomorpholinomethyl)-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-(thiomorpholinome…

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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 8.54 -94.46 3 3 2 34 270.442 6 ↓
Mid Mid (pH 6-8) 1.97 6.46 -40.17 2 3 1 33 269.434 6 ↓

Analogs

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Popular Name: N-[[5-methyl-4-(thiomorpholinomethyl)-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-(thiomorpholinome…

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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) 1.77 8.35 -91.76 3 3 2 34 270.442 5 ↓
Mid Mid (pH 6-8) 1.77 6.24 -37.54 2 3 1 33 269.434 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-methyl-4-(thiomorpholinomethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-methyl-4-(thiomor…

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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) 2.28 8.76 -90.9 3 3 2 34 284.469 5 ↓
Mid Mid (pH 6-8) 2.28 6.66 -35.91 2 3 1 33 283.461 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-methyl-4-(thiomorpholinomethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-methyl-4-(thiomor…

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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) 2.22 9.28 -95.07 3 3 2 34 284.469 6 ↓
Mid Mid (pH 6-8) 2.22 7.17 -40.16 2 3 1 33 283.461 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-(thiomorpholinomethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-(thiomorpholinome…

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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) 1.99 8.6 -112.12 3 3 2 34 270.442 6 ↓
Mid Mid (pH 6-8) 1.99 6.28 -38.79 2 3 1 33 269.434 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-(thiomorpholinomethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-(thiomorpholinome…

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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 8.09 -106.99 3 3 2 34 270.442 5 ↓
Mid Mid (pH 6-8) 2.06 5.76 -34.42 2 3 1 33 269.434 5 ↓

Analogs

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Popular Name: (2R)-2-(3-furyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanamine (2R)-2-(3-furyl)-2-[(3R)-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) 0.39 2.41 -49.11 3 3 1 44 227.353 3 ↓
Hi High (pH 8-9.5) 0.39 2.02 -3.73 2 3 0 42 226.345 3 ↓
Lo Low (pH 4.5-6) 0.39 4.06 -127.9 4 3 2 45 228.361 3 ↓

Analogs

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Popular Name: (2R)-2-(3-furyl)-2-[(3S)-3-methylthiomorpholin-4-yl]ethanamine (2R)-2-(3-furyl)-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) 0.39 2.51 -47.46 3 3 1 44 227.353 3 ↓
Hi High (pH 8-9.5) 0.39 2.17 -3.42 2 3 0 42 226.345 3 ↓
Lo Low (pH 4.5-6) 0.39 4.48 -119.39 4 3 2 45 228.361 3 ↓

Analogs

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Popular Name: 3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]furan-2-carboxylic 3-[[(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) 1.22 7.31 -40.88 1 4 0 58 241.312 3 ↓
Mid Mid (pH 6-8) 1.22 5.18 -48.56 0 4 -1 57 240.304 3 ↓

Analogs

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Popular Name: 3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]furan-2-carboxylic 3-[[(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) 1.22 7.29 -41.11 1 4 0 58 241.312 3 ↓
Mid Mid (pH 6-8) 1.22 5.16 -48.68 0 4 -1 57 240.304 3 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-furyl]methanamine N-methyl-1-[3-[[(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) 1.20 6.7 -107.37 3 3 2 34 242.388 4 ↓
Mid Mid (pH 6-8) 1.20 4.84 -39.21 2 3 1 33 241.38 4 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-furyl]methanamine N-methyl-1-[3-[[(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) 1.20 6.53 -106.91 3 3 2 34 242.388 4 ↓
Mid Mid (pH 6-8) 1.20 4.44 -41.97 2 3 1 33 241.38 4 ↓

Analogs

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Popular Name: [3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [3-[[(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) 0.83 4.85 -113.76 4 3 2 45 228.361 3 ↓
Mid Mid (pH 6-8) 0.83 2.98 -44.59 3 3 1 44 227.353 3 ↓

Analogs

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Popular Name: [3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [3-[[(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) 0.83 4.66 -112.89 4 3 2 45 228.361 3 ↓
Mid Mid (pH 6-8) 0.83 2.57 -47.7 3 3 1 44 227.353 3 ↓

Analogs

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Popular Name: [5-methyl-4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [5-methyl-4-[[(3S)-3-methylthiom…

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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) 1.05 5.51 -98.09 4 3 2 45 242.388 3 ↓
Mid Mid (pH 6-8) 1.05 3.4 -45.96 3 3 1 44 241.38 3 ↓

Analogs

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Popular Name: [5-methyl-4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [5-methyl-4-[[(3R)-3-methylthiom…

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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) 1.05 5.54 -95.65 4 3 2 45 242.388 3 ↓
Mid Mid (pH 6-8) 1.05 3.46 -45.56 3 3 1 44 241.38 3 ↓

Analogs

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Popular Name: (2R)-2-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-2-(3-furyl)ethanamine (2R)-2-[(2S,6R)-2,6-dimethylthio…

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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) 0.79 3.41 -48.23 3 3 1 44 241.38 3 ↓
Hi High (pH 8-9.5) 0.79 2.92 -3.62 2 3 0 42 240.372 3 ↓

Analogs

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Popular Name: (2R)-2-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-2-(3-furyl)ethanamine (2R)-2-[(2S,6S)-2,6-dimethylthio…

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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) 0.79 3.79 -48.21 3 3 1 44 241.38 3 ↓
Hi High (pH 8-9.5) 0.79 3.39 -3.44 2 3 0 42 240.372 3 ↓

Analogs

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Popular Name: (2R)-2-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-2-(3-furyl)ethanamine (2R)-2-[(2R,6R)-2,6-dimethylthio…

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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) 0.79 3.89 -48.29 3 3 1 44 241.38 3 ↓
Hi High (pH 8-9.5) 0.79 3.34 -3.46 2 3 0 42 240.372 3 ↓

Analogs

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Popular Name: [3-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [3-[[(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) 1.22 5.77 -118.21 4 3 2 45 242.388 3 ↓
Mid Mid (pH 6-8) 1.22 3.46 -44.46 3 3 1 44 241.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [3-[[(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) 1.22 5.84 -115.81 4 3 2 45 242.388 3 ↓
Mid Mid (pH 6-8) 1.22 4.01 -44.61 3 3 1 44 241.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-furyl]methanamine [3-[[(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) 1.22 5.64 -116.55 4 3 2 45 242.388 3 ↓
Mid Mid (pH 6-8) 1.22 3.94 -48.18 3 3 1 44 241.38 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 126919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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