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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)-4-ethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (4R)-4-ethyl-1-[(5-methylpyrazin…

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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) 1.55 3.87 -37.68 2 4 1 46 249.382 3 ↓
Lo Low (pH 4.5-6) 1.55 5.27 -107.58 3 4 2 47 250.39 3 ↓

Analogs

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Popular Name: (4S)-4-ethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (4S)-4-ethyl-1-[(5-methylpyrazin…

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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) 1.55 5.42 -34.9 2 4 1 46 249.382 3 ↓
Lo Low (pH 4.5-6) 1.55 6.16 -105.04 3 4 2 47 250.39 3 ↓

Analogs

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Popular Name: (4R,6S)-4-ethyl-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (4R,6S)-4-ethyl-6-methyl-1-[(5-m…

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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) 1.88 5.56 -32.47 2 4 1 46 263.409 3 ↓
Lo Low (pH 4.5-6) 1.88 6.29 -103.16 3 4 2 47 264.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-4-ethyl-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (4S,6S)-4-ethyl-6-methyl-1-[(5-m…

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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) 1.88 4.58 -34.75 2 4 1 46 263.409 3 ↓
Lo Low (pH 4.5-6) 1.88 5.98 -105.41 3 4 2 47 264.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-6-ethyl-3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3R,6R)-6-ethyl-3-methyl-1-[(5-m…

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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 4.67 -32.32 2 4 1 46 263.409 3 ↓
Lo Low (pH 4.5-6) 2.02 6.18 -106.3 3 4 2 47 264.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-6-ethyl-3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3R,6S)-6-ethyl-3-methyl-1-[(5-m…

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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 5.46 -34.04 2 4 1 46 263.409 3 ↓
Lo Low (pH 4.5-6) 2.02 6.19 -104.35 3 4 2 47 264.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R)-4,6-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (4S,6R)-4,6-dimethyl-1-[(5-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) 1.34 3.86 -31.6 2 4 1 46 249.382 2 ↓
Lo Low (pH 4.5-6) 1.34 5.35 -103.33 3 4 2 47 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6R)-4,6-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (4R,6R)-4,6-dimethyl-1-[(5-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) 1.34 3.7 -35.48 2 4 1 46 249.382 2 ↓
Lo Low (pH 4.5-6) 1.34 5.11 -105.18 3 4 2 47 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-4,6-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (4S,6S)-4,6-dimethyl-1-[(5-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) 1.34 3.72 -35.13 2 4 1 46 249.382 2 ↓
Lo Low (pH 4.5-6) 1.34 5.12 -104.4 3 4 2 47 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-3,6-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3S,6S)-3,6-dimethyl-1-[(5-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) 1.49 4.3 -34.01 2 4 1 46 249.382 2 ↓
Lo Low (pH 4.5-6) 1.49 5.88 -107.25 3 4 2 47 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-3,6-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3S,6R)-3,6-dimethyl-1-[(5-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) 1.49 3.79 -35.59 2 4 1 46 249.382 2 ↓
Lo Low (pH 4.5-6) 1.49 5.18 -104.66 3 4 2 47 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3S)-3-methyl-1-[(5-methylpyrazi…

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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 2.6 -41.49 2 4 1 46 235.355 2 ↓
Lo Low (pH 4.5-6) 0.81 4.74 -110.82 3 4 2 47 236.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3R)-3-methyl-1-[(5-methylpyrazi…

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Activity (Go SEA)

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 3.99 -36.02 2 4 1 46 235.355 2 ↓
Lo Low (pH 4.5-6) 0.81 4.72 -104.64 3 4 2 47 236.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7R)-3,7-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3S,7R)-3,7-dimethyl-1-[(5-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) 1.28 3.15 -42.13 2 4 1 46 249.382 2 ↓
Lo Low (pH 4.5-6) 1.28 5.3 -111.96 3 4 2 47 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7S)-3,7-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3S,7S)-3,7-dimethyl-1-[(5-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) 1.28 4.26 -36.15 2 4 1 46 249.382 2 ↓
Lo Low (pH 4.5-6) 1.28 5.82 -109.13 3 4 2 47 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7R)-3,7-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane (3R,7R)-3,7-dimethyl-1-[(5-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) 1.28 4.11 -36.02 2 4 1 46 249.382 2 ↓
Lo Low (pH 4.5-6) 1.28 5.66 -107.97 3 4 2 47 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-methylpyrazin-2-yl)methyl]-1,5-diazocane 1-[(5-methylpyrazin-2-yl)methyl]…

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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) 0.33 3.02 -36.1 2 4 1 46 221.328 2 ↓
Lo Low (pH 4.5-6) 0.33 4.58 -107.22 3 4 2 47 222.336 2 ↓

Parameters Provided:

ring.id = 210437
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 = 210437 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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