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Analogs

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Popular Name: (4R)-N-[(1R)-1-(o-tolyl)ethyl]thiochroman-4-amine (4R)-N-[(1R)-1-(o-tolyl)ethyl]th…

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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) 3.65 10.95 -41.85 2 1 1 17 284.448 3 ↓
Hi High (pH 8-9.5) 3.65 9.92 -4.49 1 1 0 12 283.44 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(o-tolyl)ethyl]thiochroman-4-amine (4R)-N-[(1S)-1-(o-tolyl)ethyl]th…

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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) 3.65 10.71 -39.9 2 1 1 17 284.448 3 ↓
Hi High (pH 8-9.5) 3.65 9.55 -4.41 1 1 0 12 283.44 3 ↓

Analogs

34973854
34973854
34973856
34973856
34992419
34992419
34992420
34992420
34992425
34992425

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Popular Name: (4S)-N-[(1R)-1-(o-tolyl)ethyl]thiochroman-4-amine (4S)-N-[(1R)-1-(o-tolyl)ethyl]th…

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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) 3.65 10.92 -41.88 2 1 1 17 284.448 3 ↓
Hi High (pH 8-9.5) 3.65 10.2 -4.72 1 1 0 12 283.44 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(o-tolyl)ethyl]thiochroman-4-amine (4S)-N-[(1S)-1-(o-tolyl)ethyl]th…

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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) 3.65 10.9 -42.38 2 1 1 17 284.448 3 ↓
Hi High (pH 8-9.5) 3.65 10.1 -3.52 1 1 0 12 283.44 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-2-methyl-1-phenyl-propyl]thiochroman-4-amine (4R)-N-[(1S)-2-methyl-1-phenyl-p…

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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) 4.00 11.47 -38.07 2 1 1 17 298.475 4 ↓
Hi High (pH 8-9.5) 4.00 9.93 -2.86 1 1 0 12 297.467 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-2-methyl-1-phenyl-propyl]thiochroman-4-amine (4R)-N-[(1R)-2-methyl-1-phenyl-p…

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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) 4.00 11.14 -38.4 2 1 1 17 298.475 4 ↓
Hi High (pH 8-9.5) 4.00 10.38 -3.98 1 1 0 12 297.467 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-2-methyl-1-phenyl-propyl]thiochroman-4-amine (4S)-N-[(1S)-2-methyl-1-phenyl-p…

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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) 4.00 11.17 -38.28 2 1 1 17 298.475 4 ↓
Hi High (pH 8-9.5) 4.00 10.68 -2.87 1 1 0 12 297.467 4 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-2-methyl-1-phenyl-propyl]thiochroman-4-amine (4S)-N-[(1R)-2-methyl-1-phenyl-p…

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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) 4.00 11.41 -38.38 2 1 1 17 298.475 4 ↓
Hi High (pH 8-9.5) 4.00 10.2 -4.27 1 1 0 12 297.467 4 ↓

Analogs

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Popular Name: (4R)-N-[(2,5-difluorophenyl)methyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(2,5-difluorophenyl)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) 3.09 9.8 -45.95 2 1 1 17 310.364 3 ↓
Mid Mid (pH 6-8) 3.09 8.6 -4.19 1 1 0 12 309.356 3 ↓

Analogs

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Popular Name: (4S)-N-[(2,5-difluorophenyl)methyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(2,5-difluorophenyl)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) 3.09 9.79 -46.59 2 1 1 17 310.364 3 ↓
Mid Mid (pH 6-8) 3.09 8.95 -4.58 1 1 0 12 309.356 3 ↓

Analogs

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Popular Name: 2-[[[(4R)-6-fluorothiochroman-4-yl]amino]methyl]phenol 2-[[[(4R)-6-fluorothiochroman-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) 2.77 6.99 -46.11 3 2 1 37 290.383 3 ↓
Hi High (pH 8-9.5) 2.77 5.75 -5.75 2 2 0 32 289.375 3 ↓

Analogs

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Popular Name: 2-[[[(4S)-6-fluorothiochroman-4-yl]amino]methyl]phenol 2-[[[(4S)-6-fluorothiochroman-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) 2.77 6.97 -45.94 3 2 1 37 290.383 3 ↓
Hi High (pH 8-9.5) 2.77 6.12 -5.12 2 2 0 32 289.375 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(4-bromophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1S)-1-(4-bromophenyl)et…

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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) 4.20 10.32 -47.51 2 1 1 17 367.307 3 ↓
Mid Mid (pH 6-8) 4.20 9.85 -3.48 1 1 0 12 366.299 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(4-bromophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1R)-1-(4-bromophenyl)et…

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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) 4.20 10.96 -47.27 2 1 1 17 367.307 3 ↓
Mid Mid (pH 6-8) 4.20 9.93 -4.53 1 1 0 12 366.299 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(4-bromophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1S)-1-(4-bromophenyl)et…

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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) 4.20 10.96 -47.4 2 1 1 17 367.307 3 ↓
Mid Mid (pH 6-8) 4.20 10.31 -4.05 1 1 0 12 366.299 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(4-bromophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1R)-1-(4-bromophenyl)et…

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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) 4.20 10.34 -47.43 2 1 1 17 367.307 3 ↓
Mid Mid (pH 6-8) 4.20 10.41 -5.07 1 1 0 12 366.299 3 ↓

Analogs

43389611
43389611
43389613
43389613

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Popular Name: (4R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1S)-1-(4-chlorophenyl)e…

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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) 4.07 10.21 -47.35 2 1 1 17 322.856 3 ↓
Mid Mid (pH 6-8) 4.07 9.75 -3.53 1 1 0 12 321.848 3 ↓

Analogs

43389611
43389611
43389613
43389613

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Popular Name: (4R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1R)-1-(4-chlorophenyl)e…

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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) 4.07 10.86 -47.07 2 1 1 17 322.856 3 ↓
Mid Mid (pH 6-8) 4.07 9.83 -4.51 1 1 0 12 321.848 3 ↓

Analogs

43389611
43389611
43389613
43389613

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Popular Name: (4S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1S)-1-(4-chlorophenyl)e…

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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) 4.07 10.86 -47.18 2 1 1 17 322.856 3 ↓
Mid Mid (pH 6-8) 4.07 10.21 -4.14 1 1 0 12 321.848 3 ↓

Analogs

43389611
43389611
43389613
43389613

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Popular Name: (4S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1R)-1-(4-chlorophenyl)e…

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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) 4.07 10.23 -47.29 2 1 1 17 322.856 3 ↓
Mid Mid (pH 6-8) 4.07 10.31 -5.1 1 1 0 12 321.848 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 4.05 10.2 -46.74 2 1 1 17 322.856 3 ↓
Mid Mid (pH 6-8) 4.05 9.74 -3.63 1 1 0 12 321.848 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1R)-1-(3-chlorophenyl)e…

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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) 4.05 10.85 -45.85 2 1 1 17 322.856 3 ↓
Mid Mid (pH 6-8) 4.05 9.82 -4.04 1 1 0 12 321.848 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 4.05 10.85 -45.95 2 1 1 17 322.856 3 ↓
Mid Mid (pH 6-8) 4.05 10.2 -3.58 1 1 0 12 321.848 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1R)-1-(3-chlorophenyl)e…

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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) 4.05 10.21 -46.64 2 1 1 17 322.856 3 ↓
Mid Mid (pH 6-8) 4.05 10.3 -4.49 1 1 0 12 321.848 3 ↓

Analogs

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Popular Name: 4-[[[(4R)-6-fluorothiochroman-4-yl]amino]methyl]benzene-1,3-diol 4-[[[(4R)-6-fluorothiochroman-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) 2.27 4.06 -47.99 4 3 1 57 306.382 3 ↓
Hi High (pH 8-9.5) 2.27 2.84 -6.37 3 3 0 52 305.374 3 ↓

Analogs

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Popular Name: 4-[[[(4S)-6-fluorothiochroman-4-yl]amino]methyl]benzene-1,3-diol 4-[[[(4S)-6-fluorothiochroman-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) 2.27 4.04 -48.71 4 3 1 57 306.382 3 ↓
Hi High (pH 8-9.5) 2.27 3.2 -7.31 3 3 0 52 305.374 3 ↓

Analogs

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Popular Name: 4-[(1S)-1-[[(4R)-6-fluorothiochroman-4-yl]amino]ethyl]phenol 4-[(1S)-1-[[(4R)-6-fluorothiochr…

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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) 2.91 6.84 -47.16 3 2 1 37 304.41 3 ↓
Hi High (pH 8-9.5) 2.91 6.38 -4.92 2 2 0 32 303.402 3 ↓

Analogs

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Popular Name: 4-[(1R)-1-[[(4R)-6-fluorothiochroman-4-yl]amino]ethyl]phenol 4-[(1R)-1-[[(4R)-6-fluorothiochr…

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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) 2.91 7.48 -46.09 3 2 1 37 304.41 3 ↓
Hi High (pH 8-9.5) 2.91 6.46 -6.04 2 2 0 32 303.402 3 ↓

Analogs

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Popular Name: 4-[(1S)-1-[[(4S)-6-fluorothiochroman-4-yl]amino]ethyl]phenol 4-[(1S)-1-[[(4S)-6-fluorothiochr…

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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) 2.91 7.48 -46.45 3 2 1 37 304.41 3 ↓
Hi High (pH 8-9.5) 2.91 6.84 -5.59 2 2 0 32 303.402 3 ↓

Analogs

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Popular Name: 4-[(1R)-1-[[(4S)-6-fluorothiochroman-4-yl]amino]ethyl]phenol 4-[(1R)-1-[[(4S)-6-fluorothiochr…

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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) 2.91 6.86 -46.22 3 2 1 37 304.41 3 ↓
Hi High (pH 8-9.5) 2.91 6.93 -6.71 2 2 0 32 303.402 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1R)-1-(o-tolyl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1R)-1-(o-tolyl…

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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) 3.79 10.85 -42.21 2 1 1 17 302.438 3 ↓
Hi High (pH 8-9.5) 3.79 9.93 -4.14 1 1 0 12 301.43 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1S)-1-(o-tolyl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1S)-1-(o-tolyl…

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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) 3.79 10.26 -43.39 2 1 1 17 302.438 3 ↓
Hi High (pH 8-9.5) 3.79 9.78 -3.54 1 1 0 12 301.43 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1R)-1-(o-tolyl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1R)-1-(o-tolyl…

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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) 3.79 10.25 -42.94 2 1 1 17 302.438 3 ↓
Hi High (pH 8-9.5) 3.79 10.37 -4.57 1 1 0 12 301.43 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1S)-1-(o-tolyl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1S)-1-(o-tolyl…

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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) 3.79 10.9 -42.41 2 1 1 17 302.438 3 ↓
Hi High (pH 8-9.5) 3.79 10.24 -3.78 1 1 0 12 301.43 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1R)-1-(p-tolyl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1R)-1-(p-tolyl…

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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) 3.84 11.01 -42.17 2 1 1 17 302.438 3 ↓
Mid Mid (pH 6-8) 3.84 9.99 -4.06 1 1 0 12 301.43 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1S)-1-(p-tolyl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1S)-1-(p-tolyl…

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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) 3.84 10.36 -42.86 2 1 1 17 302.438 3 ↓
Mid Mid (pH 6-8) 3.84 9.89 -3.32 1 1 0 12 301.43 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1R)-1-(p-tolyl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1R)-1-(p-tolyl…

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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) 3.84 10.38 -42.82 2 1 1 17 302.438 3 ↓
Mid Mid (pH 6-8) 3.84 10.47 -4.52 1 1 0 12 301.43 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1S)-1-(p-tolyl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1S)-1-(p-tolyl…

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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) 3.84 11.01 -42.21 2 1 1 17 302.438 3 ↓
Mid Mid (pH 6-8) 3.84 10.37 -3.53 1 1 0 12 301.43 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1S)-1-(2-fluor…

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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 9.83 -45.38 2 1 1 17 306.401 3 ↓
Mid Mid (pH 6-8) 3.51 9.34 -4.33 1 1 0 12 305.393 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1R)-1-(2-fluor…

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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 10.44 -41.78 2 1 1 17 306.401 3 ↓
Mid Mid (pH 6-8) 3.51 9.52 -3.96 1 1 0 12 305.393 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1S)-1-(2-fluor…

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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 10.47 -42.03 2 1 1 17 306.401 3 ↓
Mid Mid (pH 6-8) 3.51 9.8 -3.87 1 1 0 12 305.393 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1R)-1-(2-fluor…

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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 9.82 -44.78 2 1 1 17 306.401 3 ↓
Mid Mid (pH 6-8) 3.51 9.95 -4.26 1 1 0 12 305.393 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2-bromophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1S)-1-(2-bromophenyl)et…

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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) 4.15 10.23 -44.03 2 1 1 17 367.307 3 ↓
Mid Mid (pH 6-8) 4.15 9.75 -3.69 1 1 0 12 366.299 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(2-bromophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1R)-1-(2-bromophenyl)et…

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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) 4.15 10.85 -40.52 2 1 1 17 367.307 3 ↓
Mid Mid (pH 6-8) 4.15 9.95 -3.51 1 1 0 12 366.299 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2-bromophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1S)-1-(2-bromophenyl)et…

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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) 4.15 10.87 -40.74 2 1 1 17 367.307 3 ↓
Mid Mid (pH 6-8) 4.15 10.2 -3.37 1 1 0 12 366.299 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2-bromophenyl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1R)-1-(2-bromophenyl)et…

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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) 4.15 10.26 -43.44 2 1 1 17 367.307 3 ↓
Mid Mid (pH 6-8) 4.15 10.39 -3.77 1 1 0 12 366.299 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1S)-1-phenylethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1S)-1-phenylet…

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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) 3.39 9.69 -42.85 2 1 1 17 288.411 3 ↓
Mid Mid (pH 6-8) 3.39 9.23 -3.22 1 1 0 12 287.403 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1R)-1-phenylethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1R)-1-phenylet…

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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) 3.39 10.34 -42.12 2 1 1 17 288.411 3 ↓
Mid Mid (pH 6-8) 3.39 9.31 -4.03 1 1 0 12 287.403 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1S)-1-phenylethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1S)-1-phenylet…

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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) 3.39 10.34 -42.2 2 1 1 17 288.411 3 ↓
Mid Mid (pH 6-8) 3.39 9.69 -3.49 1 1 0 12 287.403 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1R)-1-phenylethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1R)-1-phenylet…

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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) 3.39 9.7 -42.78 2 1 1 17 288.411 3 ↓
Mid Mid (pH 6-8) 3.39 9.79 -4.44 1 1 0 12 287.403 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 24583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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