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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-(3-pyridyl)ethyl]thiochroman-4-amine (4R)-N-[(1R)-1-(3-pyridyl)ethyl]…

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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) 2.02 8.59 -45.37 2 2 1 29 271.409 3 ↓
Hi High (pH 8-9.5) 2.02 7.45 -6.77 1 2 0 25 270.401 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4R)-N-[(1S)-1-(3-pyridyl)ethyl]…

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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) 2.02 8.45 -43.42 2 2 1 29 271.409 3 ↓
Hi High (pH 8-9.5) 2.02 7.28 -5.63 1 2 0 25 270.401 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4S)-N-[(1R)-1-(3-pyridyl)ethyl]…

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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) 2.02 8.52 -44.63 2 2 1 29 271.409 3 ↓
Hi High (pH 8-9.5) 2.02 7.78 -6.57 1 2 0 25 270.401 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4S)-N-[(1S)-1-(3-pyridyl)ethyl]…

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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) 2.02 8.49 -44.48 2 2 1 29 271.409 3 ↓
Hi High (pH 8-9.5) 2.02 7.66 -5.82 1 2 0 25 270.401 3 ↓

Analogs

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

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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) 2.16 7.9 -45.71 2 2 1 29 289.399 3 ↓
Hi High (pH 8-9.5) 2.16 7.39 -5.15 1 2 0 25 288.391 3 ↓

Analogs

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

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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) 2.16 8.53 -45.84 2 2 1 29 289.399 3 ↓
Hi High (pH 8-9.5) 2.16 7.51 -6.59 1 2 0 25 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.16 8.55 -45.83 2 2 1 29 289.399 3 ↓
Hi High (pH 8-9.5) 2.16 7.88 -6.06 1 2 0 25 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.16 7.92 -45.75 2 2 1 29 289.399 3 ↓
Hi High (pH 8-9.5) 2.16 7.99 -7.23 1 2 0 25 288.391 3 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1S)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-(3-pyrid…

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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) 2.67 8.34 -44.8 2 2 1 29 305.854 3 ↓
Hi High (pH 8-9.5) 2.67 7.85 -4.63 1 2 0 25 304.846 3 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(1R)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-1-(3-pyrid…

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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) 2.67 8.99 -44.96 2 2 1 29 305.854 3 ↓
Hi High (pH 8-9.5) 2.67 7.96 -6.1 1 2 0 25 304.846 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1S)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-1-(3-pyrid…

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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) 2.67 9 -45 2 2 1 29 305.854 3 ↓
Hi High (pH 8-9.5) 2.67 8.33 -5.46 1 2 0 25 304.846 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1R)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-1-(3-pyrid…

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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) 2.67 8.36 -44.83 2 2 1 29 305.854 3 ↓
Hi High (pH 8-9.5) 2.67 8.44 -6.41 1 2 0 25 304.846 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(1S)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1S)-1-(3-pyrid…

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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) 2.13 7.89 -50.75 2 2 1 29 289.399 3 ↓
Hi High (pH 8-9.5) 2.13 7.37 -7.2 1 2 0 25 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(1R)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1R)-1-(3-pyrid…

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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) 2.13 8.51 -50.69 2 2 1 29 289.399 3 ↓
Hi High (pH 8-9.5) 2.13 7.49 -8.89 1 2 0 25 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(1S)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4S)-8-fluoro-N-[(1S)-1-(3-pyrid…

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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) 2.13 8.52 -50.74 2 2 1 29 289.399 3 ↓
Hi High (pH 8-9.5) 2.13 7.85 -7.53 1 2 0 25 288.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(1R)-1-(3-pyridyl)ethyl]thiochroman-4-amine (4S)-8-fluoro-N-[(1R)-1-(3-pyrid…

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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) 2.13 7.89 -50.75 2 2 1 29 289.399 3 ↓
Hi High (pH 8-9.5) 2.13 7.96 -7.75 1 2 0 25 288.391 3 ↓

Analogs

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Popular Name: (4R)-8-fluoro-N-[(6-methoxy-3-pyridyl)methyl]thiochroman-4-amine (4R)-8-fluoro-N-[(6-methoxy-3-py…

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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) 1.97 6.36 -58.82 2 3 1 39 305.398 4 ↓
Hi High (pH 8-9.5) 1.97 5.18 -8.76 1 3 0 34 304.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(6-methoxy-3-pyridyl)methyl]thiochroman-4-amine (4S)-8-fluoro-N-[(6-methoxy-3-py…

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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) 1.97 6.36 -58.38 2 3 1 39 305.398 4 ↓
Hi High (pH 8-9.5) 1.97 5.54 -9.21 1 3 0 34 304.39 4 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(6-methoxy-3-pyridyl)methyl]thiochroman-4-amine (4R)-6-chloro-N-[(6-methoxy-3-py…

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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) 2.51 6.84 -52.77 2 3 1 39 321.853 4 ↓
Hi High (pH 8-9.5) 2.51 5.65 -6.74 1 3 0 34 320.845 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(6-methoxy-3-pyridyl)methyl]thiochroman-4-amine (4S)-6-chloro-N-[(6-methoxy-3-py…

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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) 2.51 6.84 -52.63 2 3 1 39 321.853 4 ↓
Hi High (pH 8-9.5) 2.51 6.02 -7.13 1 3 0 34 320.845 4 ↓

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 = 25127 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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