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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: N-methyl-1-[2-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methanamine N-methyl-1-[2-[2-(1,4-thiazepan-…

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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) 2.19 8.4 -100.25 3 3 2 30 282.453 6 ↓
Mid Mid (pH 6-8) 2.19 6.38 -37.03 2 3 1 29 281.445 6 ↓

Analogs

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Popular Name: N-[[2-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[2-[2-(1,4-thiazepan-4-yl)eth…

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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) 2.57 9.27 -100 3 3 2 30 296.48 7 ↓
Mid Mid (pH 6-8) 2.57 7.25 -35.9 2 3 1 29 295.472 7 ↓

Analogs

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Popular Name: N-[[2-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]propan-1-amine N-[[2-[2-(1,4-thiazepan-4-yl)eth…

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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) 3.07 10.02 -101.5 3 3 2 30 310.507 8 ↓
Mid Mid (pH 6-8) 3.07 8.01 -36.63 2 3 1 29 309.499 8 ↓

Analogs

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Popular Name: N-[[2-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]propan-2-amine N-[[2-[2-(1,4-thiazepan-4-yl)eth…

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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) 2.87 9.79 -98.44 3 3 2 30 310.507 7 ↓
Mid Mid (pH 6-8) 2.87 7.78 -34.66 2 3 1 29 309.499 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methanamine N-methyl-1-[3-[2-(1,4-thiazepan-…

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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) 2.22 8.35 -87.62 3 3 2 30 282.453 6 ↓
Mid Mid (pH 6-8) 2.22 6.33 -39.64 2 3 1 29 281.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[3-[2-(1,4-thiazepan-4-yl)eth…

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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) 2.59 9.2 -87.27 3 3 2 30 296.48 7 ↓
Mid Mid (pH 6-8) 2.59 7.19 -38.79 2 3 1 29 295.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]propan-1-amine N-[[3-[2-(1,4-thiazepan-4-yl)eth…

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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) 3.10 9.95 -88.58 3 3 2 30 310.507 8 ↓
Mid Mid (pH 6-8) 3.10 7.94 -39.66 2 3 1 29 309.499 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]propan-2-amine N-[[3-[2-(1,4-thiazepan-4-yl)eth…

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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) 2.89 9.73 -86.4 3 3 2 30 310.507 7 ↓
Mid Mid (pH 6-8) 2.89 7.72 -37.25 2 3 1 29 309.499 7 ↓

Analogs

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Popular Name: N-methyl-1-[4-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methanamine N-methyl-1-[4-[2-(1,4-thiazepan-…

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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) 2.24 8.34 -86.23 3 3 2 30 282.453 6 ↓
Mid Mid (pH 6-8) 2.24 6.33 -41.31 2 3 1 29 281.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[4-[2-(1,4-thiazepan-4-yl)eth…

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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) 2.62 9.2 -85.79 3 3 2 30 296.48 7 ↓
Mid Mid (pH 6-8) 2.62 7.19 -40.56 2 3 1 29 295.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]propan-1-amine N-[[4-[2-(1,4-thiazepan-4-yl)eth…

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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) 3.12 9.96 -87.01 3 3 2 30 310.507 8 ↓
Mid Mid (pH 6-8) 3.12 7.94 -41.38 2 3 1 29 309.499 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-(1,4-thiazepan-4-yl)ethoxy]phenyl]methyl]propan-2-amine N-[[4-[2-(1,4-thiazepan-4-yl)eth…

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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) 2.91 9.73 -84.97 3 3 2 30 310.507 7 ↓
Mid Mid (pH 6-8) 2.91 7.72 -39.11 2 3 1 29 309.499 7 ↓

Analogs

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Popular Name: 4-[2-(1,4-thiazepan-4-yl)ethoxy]aniline 4-[2-(1,4-thiazepan-4-yl)ethoxy]…

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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) 1.76 6.3 -36.98 3 3 1 40 253.391 4 ↓
Mid Mid (pH 6-8) 1.76 4.29 -4.94 2 3 0 38 252.383 4 ↓

Analogs

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Popular Name: 2-[2-(1,4-thiazepan-4-yl)ethoxy]aniline 2-[2-(1,4-thiazepan-4-yl)ethoxy]…

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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) 2.12 6.42 -38.07 3 3 1 40 253.391 4 ↓
Mid Mid (pH 6-8) 2.12 4.42 -4.33 2 3 0 38 252.383 4 ↓

Analogs

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Popular Name: 2-[2-(1,4-thiazepan-4-yl)ethoxy]benzonitrile 2-[2-(1,4-thiazepan-4-yl)ethoxy]…

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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) 2.39 8.86 -41.81 1 3 1 37 263.386 4 ↓
Mid Mid (pH 6-8) 2.39 6.84 -9.68 0 3 0 36 262.378 4 ↓

Analogs

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Popular Name: 3-[2-(1,4-thiazepan-4-yl)ethoxy]benzonitrile 3-[2-(1,4-thiazepan-4-yl)ethoxy]…

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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) 2.41 8.82 -45.01 1 3 1 37 263.386 4 ↓
Mid Mid (pH 6-8) 2.41 6.81 -7.62 0 3 0 36 262.378 4 ↓

Parameters Provided:

ring.id = 223807
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 = 223807 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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