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Popular Name: (4R)-6-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-2-cyclopro…

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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) 3.42 9.33 -40.14 2 1 1 17 282.86 4 ↓
Hi High (pH 8-9.5) 3.42 8.78 -2.18 1 1 0 12 281.852 4 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-2-cyclopro…

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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) 3.42 9.99 -38.88 2 1 1 17 282.86 4 ↓
Hi High (pH 8-9.5) 3.42 8.96 -2.23 1 1 0 12 281.852 4 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-2-cyclopro…

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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) 3.42 9.99 -38.96 2 1 1 17 282.86 4 ↓
Hi High (pH 8-9.5) 3.42 9.27 -2.08 1 1 0 12 281.852 4 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-2-cyclopro…

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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) 3.42 9.4 -41.36 2 1 1 17 282.86 4 ↓
Hi High (pH 8-9.5) 3.42 9.35 -2.18 1 1 0 12 281.852 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]thiochroman-4-amine (4R)-N-[(1S)-2-cyclopropyl-1-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) 2.77 8.82 -40.1 2 1 1 17 248.415 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]thiochroman-4-amine (4R)-N-[(1R)-2-cyclopropyl-1-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) 2.77 9.52 -39.54 2 1 1 17 248.415 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]thiochroman-4-amine (4S)-N-[(1S)-2-cyclopropyl-1-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) 2.77 9.53 -39.49 2 1 1 17 248.415 4 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]thiochroman-4-amine (4S)-N-[(1R)-2-cyclopropyl-1-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) 2.77 8.89 -41.43 2 1 1 17 248.415 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-8-fluoro-thiochroman-4-amine (4R)-N-[(1S)-2-cyclopropyl-1-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) 2.88 8.86 -46.41 2 1 1 17 266.405 4 ↓
Hi High (pH 8-9.5) 2.88 8.31 -4.88 1 1 0 12 265.397 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-8-fluoro-thiochroman-4-amine (4R)-N-[(1R)-2-cyclopropyl-1-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) 2.88 9.56 -45.58 2 1 1 17 266.405 4 ↓
Hi High (pH 8-9.5) 2.88 8.6 -5.04 1 1 0 12 265.397 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-8-fluoro-thiochroman-4-amine (4S)-N-[(1S)-2-cyclopropyl-1-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) 2.88 9.57 -45.55 2 1 1 17 266.405 4 ↓
Hi High (pH 8-9.5) 2.88 8.85 -4.2 1 1 0 12 265.397 4 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-8-fluoro-thiochroman-4-amine (4S)-N-[(1R)-2-cyclopropyl-1-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) 2.88 8.88 -46.34 2 1 1 17 266.405 4 ↓
Hi High (pH 8-9.5) 2.88 8.7 -4.61 1 1 0 12 265.397 4 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1S)-1-(cyclopropylmethyl)propyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-(cyclopr…

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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) 3.96 10.39 -37.42 2 1 1 17 296.887 5 ↓
Hi High (pH 8-9.5) 3.96 8.79 -1.83 1 1 0 12 295.879 5 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1R)-1-(cyclopropylmethyl)propyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-1-(cyclopr…

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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) 3.96 10.45 -38.61 2 1 1 17 296.887 5 ↓
Hi High (pH 8-9.5) 3.96 9.63 -2.05 1 1 0 12 295.879 5 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1S)-1-(cyclopropylmethyl)propyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-1-(cyclopr…

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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) 3.96 10.6 -37.83 2 1 1 17 296.887 5 ↓
Hi High (pH 8-9.5) 3.96 9.81 -1.89 1 1 0 12 295.879 5 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1R)-1-(cyclopropylmethyl)propyl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-1-(cyclopr…

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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) 3.96 10.39 -37.39 2 1 1 17 296.887 5 ↓
Hi High (pH 8-9.5) 3.96 9.22 -3.15 1 1 0 12 295.879 5 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(cyclopropylmethyl)propyl]thiochroman-4-amine (4R)-N-[(1S)-1-(cyclopropylmethy…

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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 9.87 -36.84 2 1 1 17 262.442 5 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(cyclopropylmethyl)propyl]thiochroman-4-amine (4R)-N-[(1R)-1-(cyclopropylmethy…

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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 9.87 -38.13 2 1 1 17 262.442 5 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(cyclopropylmethyl)propyl]thiochroman-4-amine (4S)-N-[(1S)-1-(cyclopropylmethy…

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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 10.04 -37.38 2 1 1 17 262.442 5 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(cyclopropylmethyl)propyl]thiochroman-4-amine (4S)-N-[(1R)-1-(cyclopropylmethy…

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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 9.87 -37.66 2 1 1 17 262.442 5 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(cyclopropylmethyl)propyl]-8-fluoro-thiochroman-4-amine (4R)-N-[(1S)-1-(cyclopropylmethy…

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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) 3.42 9.94 -42.47 2 1 1 17 280.432 5 ↓
Hi High (pH 8-9.5) 3.42 8.51 -4.17 1 1 0 12 279.424 5 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(cyclopropylmethyl)propyl]-8-fluoro-thiochroman-4-amine (4R)-N-[(1R)-1-(cyclopropylmethy…

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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) 3.42 9.97 -44.64 2 1 1 17 280.432 5 ↓
Hi High (pH 8-9.5) 3.42 9.15 -4.86 1 1 0 12 279.424 5 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-8-fluoro-thiochroman-4-amine (4S)-N-[(1S)-1-(cyclopropylmethy…

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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) 3.42 10.08 -43.09 2 1 1 17 280.432 5 ↓
Hi High (pH 8-9.5) 3.42 9.3 -3.99 1 1 0 12 279.424 5 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-8-fluoro-thiochroman-4-amine (4S)-N-[(1R)-1-(cyclopropylmethy…

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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) 3.42 9.91 -43.41 2 1 1 17 280.432 5 ↓
Hi High (pH 8-9.5) 3.42 8.73 -5.15 1 1 0 12 279.424 5 ↓

Parameters Provided:

ring.id = 522001
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 = 522001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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