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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-(2-morpholinoethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2-morpholinoethyl)-4,5,6…

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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) 1.06 4.42 -42.22 2 3 1 29 267.418 4 ↓
Hi High (pH 8-9.5) 1.06 3.35 -3.66 1 3 0 24 266.41 4 ↓
Lo Low (pH 4.5-6) 1.06 6.69 -124.57 3 3 2 30 268.426 4 ↓

Analogs

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Popular Name: (4S)-N-(2-morpholinoethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2-morpholinoethyl)-4,5,6…

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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) 1.06 4.43 -42.35 2 3 1 29 267.418 4 ↓
Hi High (pH 8-9.5) 1.06 3.24 -3.87 1 3 0 24 266.41 4 ↓
Lo Low (pH 4.5-6) 1.06 6.69 -124.61 3 3 2 30 268.426 4 ↓

Analogs

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Popular Name: (4R)-N-(2-methyl-2-morpholino-propyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2-methyl-2-morpholino-pr…

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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) 1.87 5.84 -39.28 2 3 1 29 295.472 4 ↓
Hi High (pH 8-9.5) 1.87 4.32 -2.85 1 3 0 24 294.464 4 ↓
Lo Low (pH 4.5-6) 1.87 7.82 -118.4 3 3 2 30 296.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2-methyl-2-morpholino-propyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2-methyl-2-morpholino-pr…

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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) 1.87 5.9 -38.91 2 3 1 29 295.472 4 ↓
Hi High (pH 8-9.5) 1.87 4.98 -2.85 1 3 0 24 294.464 4 ↓
Lo Low (pH 4.5-6) 1.87 7.78 -119.57 3 3 2 30 296.48 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-methyl-2-morpholi…

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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) 1.39 5.07 -37.69 2 3 1 29 281.445 4 ↓
Hi High (pH 8-9.5) 1.39 4.11 -2.87 1 3 0 24 280.437 4 ↓
Lo Low (pH 4.5-6) 1.39 6.87 -123.15 3 3 2 30 282.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-methyl-2-morpholi…

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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) 1.39 5.65 -37.15 2 3 1 29 281.445 4 ↓
Hi High (pH 8-9.5) 1.39 4.09 -3.59 1 3 0 24 280.437 4 ↓
Lo Low (pH 4.5-6) 1.39 7.53 -121 3 3 2 30 282.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-methyl-2-morpholino-ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-methyl-2-morpholi…

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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) 1.39 5.36 -39.7 2 3 1 29 281.445 4 ↓
Hi High (pH 8-9.5) 1.39 4.38 -3.36 1 3 0 24 280.437 4 ↓
Lo Low (pH 4.5-6) 1.39 7.25 -119.34 3 3 2 30 282.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-methyl-2-morpholino-ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-methyl-2-morpholi…

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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) 1.39 4.92 -37.9 2 3 1 29 281.445 4 ↓
Hi High (pH 8-9.5) 1.39 5.37 -3.55 1 3 0 24 280.437 4 ↓
Lo Low (pH 4.5-6) 1.39 6.86 -123.19 3 3 2 30 282.453 4 ↓

Parameters Provided:

ring.id = 210532
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 210532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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