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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4R)-N-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1R)-1-(2,5-dimethylthia…

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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) 2.50 8.8 -37.82 2 2 1 29 323.482 3 ↓
Hi High (pH 8-9.5) 2.50 7.7 -7.09 1 2 0 25 322.474 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]-6-fluoro-thiochroman-4-amine (4R)-N-[(1S)-1-(2,5-dimethylthia…

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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) 2.50 8.15 -37.72 2 2 1 29 323.482 3 ↓
Hi High (pH 8-9.5) 2.50 7.58 -5.73 1 2 0 25 322.474 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1R)-1-(2,5-dimethylthia…

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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) 2.50 8.18 -37.74 2 2 1 29 323.482 3 ↓
Hi High (pH 8-9.5) 2.50 8.11 -7.52 1 2 0 25 322.474 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]-6-fluoro-thiochroman-4-amine (4S)-N-[(1S)-1-(2,5-dimethylthia…

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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) 2.50 8.82 -37.84 2 2 1 29 323.482 3 ↓
Hi High (pH 8-9.5) 2.50 8.06 -6.96 1 2 0 25 322.474 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1R)-1-(2-methylthiazol-4-yl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1R)-1-(2-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) 2.28 8.2 -37.54 2 2 1 29 309.455 3 ↓
Hi High (pH 8-9.5) 2.28 7.07 -6.55 1 2 0 25 308.447 3 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(1S)-1-(2-methylthiazol-4-yl)ethyl]thiochroman-4-amine (4R)-6-fluoro-N-[(1S)-1-(2-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) 2.28 7.54 -36.72 2 2 1 29 309.455 3 ↓
Hi High (pH 8-9.5) 2.28 7 -5.63 1 2 0 25 308.447 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1R)-1-(2-methylthiazol-4-yl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1R)-1-(2-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) 2.28 7.54 -36.86 2 2 1 29 309.455 3 ↓
Hi High (pH 8-9.5) 2.28 7.49 -6.86 1 2 0 25 308.447 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(1S)-1-(2-methylthiazol-4-yl)ethyl]thiochroman-4-amine (4S)-6-fluoro-N-[(1S)-1-(2-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) 2.28 8.19 -37.53 2 2 1 29 309.455 3 ↓
Hi High (pH 8-9.5) 2.28 7.49 -6.23 1 2 0 25 308.447 3 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-1-(2,5-dim…

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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) 3.01 9.25 -37.1 2 2 1 29 339.937 3 ↓
Hi High (pH 8-9.5) 3.01 8.15 -6.54 1 2 0 25 338.929 3 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-(2,5-dim…

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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) 3.01 8.6 -36.94 2 2 1 29 339.937 3 ↓
Hi High (pH 8-9.5) 3.01 8.03 -5.21 1 2 0 25 338.929 3 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-1-(2,5-dim…

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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) 3.01 8.62 -37 2 2 1 29 339.937 3 ↓
Hi High (pH 8-9.5) 3.01 8.55 -6.69 1 2 0 25 338.929 3 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-1-(2,5-dim…

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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) 3.01 9.28 -37.09 2 2 1 29 339.937 3 ↓
Hi High (pH 8-9.5) 3.01 8.51 -6.22 1 2 0 25 338.929 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1R)-1-(2-methylthiazol-4-yl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-1-(2-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) 2.79 8.65 -36.78 2 2 1 29 325.91 3 ↓
Hi High (pH 8-9.5) 2.79 7.51 -6.03 1 2 0 25 324.902 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1S)-1-(2-methylthiazol-4-yl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-(2-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) 2.79 7.98 -36.02 2 2 1 29 325.91 3 ↓
Hi High (pH 8-9.5) 2.79 7.45 -5.04 1 2 0 25 324.902 3 ↓

Analogs

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Popular Name: (4S)-6-chloro-N-[(1R)-1-(2-methylthiazol-4-yl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-1-(2-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) 2.79 7.99 -36.08 2 2 1 29 325.91 3 ↓
Hi High (pH 8-9.5) 2.79 7.93 -6.08 1 2 0 25 324.902 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1S)-1-(2-methylthiazol-4-yl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-1-(2-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) 2.79 8.64 -36.82 2 2 1 29 325.91 3 ↓
Hi High (pH 8-9.5) 2.79 7.94 -5.52 1 2 0 25 324.902 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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 = 125364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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