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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-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-(1,4-thiazepan-4-yl)ethanamine N-[[(2R)-tetrahydrofuran-2-yl]me…

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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) 0.81 4.11 -40.89 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 0.81 2.72 -3.52 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 0.81 6.13 -116.74 3 3 2 30 246.42 5 ↓

Analogs

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Popular Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-(1,4-thiazepan-4-yl)ethanamine N-[[(2S)-tetrahydrofuran-2-yl]me…

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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) 0.81 4.1 -41.02 2 3 1 29 245.412 5 ↓
Hi High (pH 8-9.5) 0.81 2.78 -2.83 1 3 0 24 244.404 5 ↓
Lo Low (pH 4.5-6) 0.81 6.12 -116.74 3 3 2 30 246.42 5 ↓

Analogs

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Popular Name: (1S)-1-[(2S)-tetrahydrofuran-2-yl]-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (1S)-1-[(2S)-tetrahydrofuran-2-y…

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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) 1.49 5.42 -38.57 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.49 4.18 -3.08 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.49 6.94 -117.92 3 3 2 30 260.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2S)-tetrahydrofuran-2-yl]-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (1R)-1-[(2S)-tetrahydrofuran-2-y…

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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) 1.49 4.58 -39.03 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.49 3.41 -2.67 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.49 6.61 -115.3 3 3 2 30 260.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(2R)-tetrahydrofuran-2-yl]-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (1S)-1-[(2R)-tetrahydrofuran-2-y…

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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) 1.49 5.16 -38 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.49 3.94 -3.15 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.49 6.68 -115.43 3 3 2 30 260.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(2R)-tetrahydrofuran-2-yl]-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (1R)-1-[(2R)-tetrahydrofuran-2-y…

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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) 1.49 5.39 -38.09 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.49 4.52 -2.08 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.49 6.9 -117.04 3 3 2 30 260.447 5 ↓

Analogs

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Popular Name: (2S)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-(1,4-thiazepan-4-yl)propan-1-amine (2S)-N-[[(2S)-tetrahydrofuran-2-…

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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) 1.14 5.06 -38.24 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.14 3.67 -3.08 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.14 6.72 -114.69 3 3 2 30 260.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-(1,4-thiazepan-4-yl)propan-1-amine (2R)-N-[[(2S)-tetrahydrofuran-2-…

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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) 1.14 5.71 -37.97 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.14 4.53 -3.17 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.14 6.8 -114.68 3 3 2 30 260.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-(1,4-thiazepan-4-yl)propan-1-amine (2S)-N-[[(2R)-tetrahydrofuran-2-…

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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) 1.14 5.81 -38.4 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.14 4.48 -2.21 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.14 6.92 -115.11 3 3 2 30 260.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-(1,4-thiazepan-4-yl)propan-1-amine (2R)-N-[[(2R)-tetrahydrofuran-2-…

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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) 1.14 5.13 -38.67 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.14 3.42 -2.41 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.14 6.73 -115.23 3 3 2 30 260.447 5 ↓

Parameters Provided:

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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 = 62115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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