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Analogs

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Popular Name: (4R)-N-(2-furylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2-furylmethyl)-4,5,6,7-t…

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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) 1.84 7.08 -40.09 2 2 1 30 234.344 3 ↓
Hi High (pH 8-9.5) 1.84 5.88 -4.99 1 2 0 25 233.336 3 ↓

Analogs

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Popular Name: (4S)-N-(2-furylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2-furylmethyl)-4,5,6,7-t…

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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) 1.84 7.08 -39.82 2 2 1 30 234.344 3 ↓
Hi High (pH 8-9.5) 1.84 6 -4.97 1 2 0 25 233.336 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(5-methyl-2-furyl…

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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) 2.62 8.4 -35.95 2 2 1 30 262.398 3 ↓
Hi High (pH 8-9.5) 2.62 7.38 -5.08 1 2 0 25 261.39 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(5-methyl-2-furyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(5-methyl-2-furyl…

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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) 2.62 7.79 -35.97 2 2 1 30 262.398 3 ↓
Hi High (pH 8-9.5) 2.62 7.3 -4.15 1 2 0 25 261.39 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(5-methyl-2-furyl…

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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) 2.62 7.82 -35.98 2 2 1 30 262.398 3 ↓
Hi High (pH 8-9.5) 2.62 7.36 -5.3 1 2 0 25 261.39 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(5-methyl-2-furyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(5-methyl-2-furyl…

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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) 2.62 8.41 -36.03 2 2 1 30 262.398 3 ↓
Hi High (pH 8-9.5) 2.62 7.44 -4.46 1 2 0 25 261.39 3 ↓

Analogs

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Popular Name: (4R)-N-[(5-methyl-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(5-methyl-2-furyl)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 7.9 -40.01 2 2 1 30 248.371 3 ↓
Hi High (pH 8-9.5) 2.06 6.71 -5.24 1 2 0 25 247.363 3 ↓

Analogs

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Popular Name: (4S)-N-[(5-methyl-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(5-methyl-2-furyl)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 7.91 -39.69 2 2 1 30 248.371 3 ↓
Hi High (pH 8-9.5) 2.06 6.83 -5.33 1 2 0 25 247.363 3 ↓

Analogs

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Popular Name: (4R)-N-[(5-bromo-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(5-bromo-2-furyl)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) 2.77 7.82 -43.73 2 2 1 30 313.24 3 ↓
Hi High (pH 8-9.5) 2.77 6.62 -4.84 1 2 0 25 312.232 3 ↓

Analogs

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Popular Name: (4S)-N-[(5-bromo-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(5-bromo-2-furyl)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) 2.77 7.82 -43.21 2 2 1 30 313.24 3 ↓
Hi High (pH 8-9.5) 2.77 6.74 -5.04 1 2 0 25 312.232 3 ↓

Analogs

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Popular Name: (4R)-N-[(5-chloro-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(5-chloro-2-furyl)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) 2.64 7.69 -43.86 2 2 1 30 268.789 3 ↓
Hi High (pH 8-9.5) 2.64 6.51 -4.85 1 2 0 25 267.781 3 ↓

Analogs

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Popular Name: (4S)-N-[(5-chloro-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(5-chloro-2-furyl)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) 2.64 7.7 -43.3 2 2 1 30 268.789 3 ↓
Hi High (pH 8-9.5) 2.64 6.62 -5.05 1 2 0 25 267.781 3 ↓

Analogs

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Popular Name: (4R)-N-[(5-nitro-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(5-nitro-2-furyl)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) 1.92 7.79 -56.15 2 5 1 76 279.341 4 ↓
Mid Mid (pH 6-8) 1.92 6.59 -10.01 1 5 0 71 278.333 4 ↓

Analogs

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Popular Name: (4S)-N-[(5-nitro-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(5-nitro-2-furyl)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) 1.92 7.79 -55.13 2 5 1 76 279.341 4 ↓
Mid Mid (pH 6-8) 1.92 6.71 -10.48 1 5 0 71 278.333 4 ↓

Analogs

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Popular Name: (4R)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[[5-(difluoromethylsulfan…

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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) 3.13 9.52 -44.07 2 2 1 30 330.445 6 ↓
Hi High (pH 8-9.5) 3.13 8.32 -6.47 1 2 0 25 329.437 6 ↓

Analogs

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Popular Name: (4S)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[[5-(difluoromethylsulfan…

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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) 3.13 9.52 -43.56 2 2 1 30 330.445 6 ↓
Hi High (pH 8-9.5) 3.13 8.44 -6.55 1 2 0 25 329.437 6 ↓

Analogs

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Popular Name: (4R)-N-[(5-iodo-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(5-iodo-2-furyl)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) 3.05 8.28 -43.34 2 2 1 30 360.24 3 ↓
Hi High (pH 8-9.5) 3.05 7.09 -4.57 1 2 0 25 359.232 3 ↓

Analogs

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Popular Name: (4S)-N-[(5-iodo-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(5-iodo-2-furyl)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) 3.05 8.29 -42.75 2 2 1 30 360.24 3 ↓
Hi High (pH 8-9.5) 3.05 7.21 -4.72 1 2 0 25 359.232 3 ↓

Analogs

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Popular Name: methyl 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) 1.82 8.6 -48.21 2 4 1 56 306.407 5 ↓
Hi High (pH 8-9.5) 1.82 7.41 -7.3 1 4 0 51 305.399 5 ↓

Analogs

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Popular Name: methyl 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) 1.82 8.6 -48 2 4 1 56 306.407 5 ↓
Hi High (pH 8-9.5) 1.82 7.53 -7.46 1 4 0 51 305.399 5 ↓

Analogs

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Popular Name: methyl 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) 1.91 7.88 -50.45 2 4 1 56 292.38 5 ↓
Hi High (pH 8-9.5) 1.91 6.69 -8.18 1 4 0 51 291.372 5 ↓

Analogs

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Popular Name: methyl 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) 1.91 7.89 -49.8 2 4 1 56 292.38 5 ↓
Hi High (pH 8-9.5) 1.91 6.8 -8.46 1 4 0 51 291.372 5 ↓

Analogs

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Popular Name: (4R)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[[5-(methylsulfanylmethyl…

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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) 2.58 9.14 -42.57 2 2 1 30 294.465 5 ↓
Hi High (pH 8-9.5) 2.58 7.94 -6.25 1 2 0 25 293.457 5 ↓

Analogs

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Popular Name: (4S)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[[5-(methylsulfanylmethyl…

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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) 2.58 9.14 -42.18 2 2 1 30 294.465 5 ↓
Hi High (pH 8-9.5) 2.58 8.06 -6.33 1 2 0 25 293.457 5 ↓

Analogs

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Popular Name: (4R)-N-[(5-ethyl-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(5-ethyl-2-furyl)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) 2.64 8.69 -40.01 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.64 7.49 -5.07 1 2 0 25 261.39 4 ↓

Analogs

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Popular Name: (4S)-N-[(5-ethyl-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(5-ethyl-2-furyl)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) 2.64 8.69 -39.69 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.64 7.61 -5.06 1 2 0 25 261.39 4 ↓

Analogs

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Popular Name: (4R)-N-[(4,5-dibromo-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(4,5-dibromo-2-furyl)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) 3.51 8.42 -46.33 2 2 1 30 392.136 3 ↓
Hi High (pH 8-9.5) 3.51 7.33 -3.84 1 2 0 25 391.128 3 ↓

Analogs

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Popular Name: (4S)-N-[(4,5-dibromo-2-furyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(4,5-dibromo-2-furyl)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) 3.51 8.41 -45.9 2 2 1 30 392.136 3 ↓
Hi High (pH 8-9.5) 3.51 7.2 -4.01 1 2 0 25 391.128 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2-furyl)propyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(2-furyl)propyl]-…

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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) 2.90 8.45 -33.87 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.90 7.57 -3.98 1 2 0 25 261.39 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(2-furyl)propyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(2-furyl)propyl]-…

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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) 2.90 8.29 -34.44 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.90 7.15 -4.18 1 2 0 25 261.39 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2-furyl)propyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(2-furyl)propyl]-…

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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) 2.90 8.31 -34.42 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.90 7.47 -3.68 1 2 0 25 261.39 4 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2-furyl)propyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(2-furyl)propyl]-…

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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) 2.90 8.45 -33.99 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.90 7.45 -4.86 1 2 0 25 261.39 4 ↓

Parameters Provided:

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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 = 210508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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