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Analogs

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Popular Name: (4R)-6-fluoro-N-(thiazol-5-ylmethyl)thiochroman-4-amine (4R)-6-fluoro-N-(thiazol-5-ylmet…

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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) 2.00 6.17 -7.04 1 2 0 25 280.393 3 ↓
Mid Mid (pH 6-8) 2.00 6.99 -49.28 2 2 1 29 281.401 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-(thiazol-5-ylmethyl)thiochroman-4-amine (4S)-6-fluoro-N-(thiazol-5-ylmet…

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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) 2.00 5.82 -6.72 1 2 0 25 280.393 3 ↓
Mid Mid (pH 6-8) 2.00 6.99 -49.22 2 2 1 29 281.401 3 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-(thiazol-5-ylmethyl)thiochroman-4-amine (4R)-6-chloro-N-(thiazol-5-ylmet…

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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) 2.52 6.62 -6.44 1 2 0 25 296.848 3 ↓
Mid Mid (pH 6-8) 2.52 7.44 -48.43 2 2 1 29 297.856 3 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-(thiazol-5-ylmethyl)thiochroman-4-amine (4S)-6-chloro-N-(thiazol-5-ylmet…

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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) 2.52 6.26 -6.06 1 2 0 25 296.848 3 ↓
Mid Mid (pH 6-8) 2.52 7.44 -48.37 2 2 1 29 297.856 3 ↓

Analogs

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Popular Name: (4R)-N-(thiazol-5-ylmethyl)thiochroman-4-amine (4R)-N-(thiazol-5-ylmethyl)thioc…

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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) 1.86 6.1 -6.32 1 2 0 25 262.403 3 ↓
Mid Mid (pH 6-8) 1.86 6.92 -47.82 2 2 1 29 263.411 3 ↓

Analogs

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Popular Name: (4S)-N-(thiazol-5-ylmethyl)thiochroman-4-amine (4S)-N-(thiazol-5-ylmethyl)thioc…

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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) 1.86 5.75 -5.88 1 2 0 25 262.403 3 ↓
Mid Mid (pH 6-8) 1.86 6.93 -47.83 2 2 1 29 263.411 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1R)-1-(4-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) 2.78 7.99 -45.09 2 2 1 29 309.455 3 ↓
Mid Mid (pH 6-8) 2.78 6.9 -6.87 1 2 0 25 308.447 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1S)-1-(4-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) 2.78 7.36 -44.65 2 2 1 29 309.455 3 ↓
Mid Mid (pH 6-8) 2.78 6.83 -6.04 1 2 0 25 308.447 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1R)-1-(4-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) 2.78 7.38 -44.89 2 2 1 29 309.455 3 ↓
Mid Mid (pH 6-8) 2.78 7.32 -7.78 1 2 0 25 308.447 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1S)-1-(4-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) 2.78 8.03 -45.02 2 2 1 29 309.455 3 ↓
Mid Mid (pH 6-8) 2.78 7.3 -6.29 1 2 0 25 308.447 3 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-1-(4-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) 3.30 8.44 -44.29 2 2 1 29 325.91 3 ↓
Mid Mid (pH 6-8) 3.30 7.35 -6.36 1 2 0 25 324.902 3 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-(4-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) 3.30 7.81 -43.81 2 2 1 29 325.91 3 ↓
Mid Mid (pH 6-8) 3.30 7.28 -5.39 1 2 0 25 324.902 3 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-1-(4-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) 3.30 7.82 -44.08 2 2 1 29 325.91 3 ↓
Mid Mid (pH 6-8) 3.30 7.77 -7.14 1 2 0 25 324.902 3 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-1-(4-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) 3.30 8.48 -44.19 2 2 1 29 325.91 3 ↓
Mid Mid (pH 6-8) 3.30 7.75 -5.82 1 2 0 25 324.902 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4R)-N-[(1R)-1-(4-methylthiazol-…

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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 7.92 -44.04 2 2 1 29 291.465 3 ↓
Mid Mid (pH 6-8) 2.64 6.84 -7.05 1 2 0 25 290.457 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4R)-N-[(1S)-1-(4-methylthiazol-…

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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 7.3 -43.59 2 2 1 29 291.465 3 ↓
Mid Mid (pH 6-8) 2.64 6.76 -5.52 1 2 0 25 290.457 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4S)-N-[(1R)-1-(4-methylthiazol-…

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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 7.31 -43.82 2 2 1 29 291.465 3 ↓
Mid Mid (pH 6-8) 2.64 7.26 -6.97 1 2 0 25 290.457 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]thiochroman-4-amine (4S)-N-[(1S)-1-(4-methylthiazol-…

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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 7.96 -43.99 2 2 1 29 291.465 3 ↓
Mid Mid (pH 6-8) 2.64 7.23 -5.96 1 2 0 25 290.457 3 ↓

Parameters Provided:

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