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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-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (4R)-4-ethyl-1-(4-pyrrolidin-1-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) 3.60 9.16 -37.76 2 3 1 23 288.459 3 ↓
Lo Low (pH 4.5-6) 3.60 9.75 -122.43 3 3 0 24 289.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-ethyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (4S)-4-ethyl-1-(4-pyrrolidin-1-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) 3.60 9.21 -36.57 2 3 1 23 288.459 3 ↓
Lo Low (pH 4.5-6) 3.60 8.8 -101.86 3 3 0 24 289.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (4R)-4-methyl-1-(4-pyrrolidin-1-…

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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) 3.06 8.34 -38.02 2 3 1 23 274.432 2 ↓
Lo Low (pH 4.5-6) 3.06 8.61 -126.27 3 3 0 24 275.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (4S)-4-methyl-1-(4-pyrrolidin-1-…

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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) 3.06 8.34 -36.9 2 3 1 23 274.432 2 ↓
Lo Low (pH 4.5-6) 3.06 8.95 -125.28 3 3 0 24 275.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R)-4,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (4S,6R)-4,6-dimethyl-1-(4-pyrrol…

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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) 3.39 9.03 -31.96 2 3 1 23 288.459 2 ↓
Lo Low (pH 4.5-6) 3.39 9.6 -120.07 3 3 0 24 289.467 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-4,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (4S,6S)-4,6-dimethyl-1-(4-pyrrol…

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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) 3.39 8.99 -35.37 2 3 1 23 288.459 2 ↓
Lo Low (pH 4.5-6) 3.39 9.19 -120.01 3 3 0 24 289.467 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6R)-4,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (4R,6R)-4,6-dimethyl-1-(4-pyrrol…

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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) 3.39 9 -35.3 2 3 1 23 288.459 2 ↓
Lo Low (pH 4.5-6) 3.39 9.26 -120.6 3 3 0 24 289.467 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (3R)-3-methyl-1-(4-pyrrolidin-1-…

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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) 2.86 8.48 -34.49 2 3 1 23 274.432 2 ↓
Lo Low (pH 4.5-6) 2.86 8.74 -123.12 3 3 0 24 275.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (3S)-3-methyl-1-(4-pyrrolidin-1-…

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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) 2.86 8.48 -34.58 2 3 1 23 274.432 2 ↓
Lo Low (pH 4.5-6) 2.86 8.8 -116.45 3 3 0 24 275.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7R)-3,7-dimethyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (3S,7R)-3,7-dimethyl-1-(4-pyrrol…

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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) 3.33 8.56 -36.32 2 3 1 23 288.459 2 ↓
Lo Low (pH 4.5-6) 3.33 9.35 -122.88 3 3 0 24 289.467 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7S)-3,7-dimethyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (3S,7S)-3,7-dimethyl-1-(4-pyrrol…

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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) 3.33 9.03 -34.21 2 3 1 23 288.459 2 ↓
Lo Low (pH 4.5-6) 3.33 9.43 -124.55 3 3 0 24 289.467 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7R)-3,7-dimethyl-1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane (3R,7R)-3,7-dimethyl-1-(4-pyrrol…

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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) 3.33 9.03 -34.27 2 3 1 23 288.459 2 ↓
Lo Low (pH 4.5-6) 3.33 9.43 -124.52 3 3 0 24 289.467 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-pyrrolidin-1-ylphenyl)-1,5-diazocane 1-(4-pyrrolidin-1-ylphenyl)-1,5-…

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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) 2.38 7.92 -34.66 2 3 1 23 260.405 2 ↓
Lo Low (pH 4.5-6) 2.38 8.33 -125.36 3 3 0 24 261.413 2 ↓

Parameters Provided:

ring.id = 330179
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 = 330179 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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