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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-[2-fluoro-5-(trifluoromethyl)phenyl]-1,5-diazocane (4R)-4-ethyl-1-[2-fluoro-5-(trif…

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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) 4.08 8.85 -38.35 2 2 1 20 305.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,5-diazocane (4S)-4-ethyl-1-[2-fluoro-5-(trif…

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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) 4.08 8.91 -38 2 2 1 20 305.339 3 ↓

Analogs

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Popular Name: (4R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,5-diazocane (4R)-1-[2-fluoro-5-(trifluoromet…

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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) 3.54 8.03 -38.69 2 2 1 20 291.312 2 ↓

Analogs

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Popular Name: (4S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,5-diazocane (4S)-1-[2-fluoro-5-(trifluoromet…

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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) 3.54 8.04 -38.26 2 2 1 20 291.312 2 ↓

Analogs

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Popular Name: (4S,6R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4,6-dimethyl-1,5-diazocane (4S,6R)-1-[2-fluoro-5-(trifluoro…

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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) 3.88 8.92 -33 2 2 1 20 305.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4,6-dimethyl-1,5-diazocane (4S,6S)-1-[2-fluoro-5-(trifluoro…

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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) 3.88 8.69 -36.1 2 2 1 20 305.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4,6-dimethyl-1,5-diazocane (4R,6R)-1-[2-fluoro-5-(trifluoro…

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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) 3.88 8.69 -36.12 2 2 1 20 305.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methyl-1,5-diazocane (3R)-1-[2-fluoro-5-(trifluoromet…

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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) 3.34 8.43 -36.27 2 2 1 20 291.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methyl-1,5-diazocane (3S)-1-[2-fluoro-5-(trifluoromet…

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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) 3.34 8.46 -36.48 2 2 1 20 291.312 2 ↓

Analogs

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Popular Name: (3S,7R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3,7-dimethyl-1,5-diazocane (3S,7R)-1-[2-fluoro-5-(trifluoro…

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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) 3.82 8.45 -38.48 2 2 1 20 305.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3,7-dimethyl-1,5-diazocane (3S,7S)-1-[2-fluoro-5-(trifluoro…

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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) 3.82 9.01 -36.19 2 2 1 20 305.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3,7-dimethyl-1,5-diazocane (3R,7R)-1-[2-fluoro-5-(trifluoro…

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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) 3.82 8.99 -36.24 2 2 1 20 305.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,5-diazocane 1-[2-fluoro-5-(trifluoromethyl)p…

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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 7.91 -36.55 2 2 1 20 277.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(4R)-4-ethyl-1,5-diazocan-1-yl]aniline N,N-diethyl-4-[(4R)-4-ethyl-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) 3.95 9.81 -50.58 3 3 0 24 291.483 5 ↓
Hi High (pH 8-9.5) 3.95 9.77 -36.96 2 3 1 23 290.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(4S)-4-ethyl-1,5-diazocan-1-yl]aniline N,N-diethyl-4-[(4S)-4-ethyl-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) 3.95 9.92 -47.59 3 3 0 24 291.483 5 ↓
Hi High (pH 8-9.5) 3.95 9.81 -35.82 2 3 1 23 290.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(4R)-4-methyl-1,5-diazocan-1-yl]aniline N,N-diethyl-4-[(4R)-4-methyl-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) 3.41 9.26 -37.86 3 3 0 24 277.456 4 ↓
Hi High (pH 8-9.5) 3.41 9.17 -32.14 2 3 1 23 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(4S)-4-methyl-1,5-diazocan-1-yl]aniline N,N-diethyl-4-[(4S)-4-methyl-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) 3.41 9 -48.99 3 3 0 24 277.456 4 ↓
Hi High (pH 8-9.5) 3.41 8.93 -36.14 2 3 1 23 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S,6R)-4,6-dimethyl-1,5-diazocan-1-yl]-N,N-diethyl-aniline 4-[(4S,6R)-4,6-dimethyl-1,5-diaz…

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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) 3.74 9.73 -38.46 3 3 0 24 291.483 4 ↓
Hi High (pH 8-9.5) 3.74 9.64 -31.33 2 3 1 23 290.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4R,6R)-4,6-dimethyl-1,5-diazocan-1-yl]-N,N-diethyl-aniline 4-[(4R,6R)-4,6-dimethyl-1,5-diaz…

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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) 3.74 9.71 -47.78 3 3 0 24 291.483 4 ↓
Hi High (pH 8-9.5) 3.74 9.61 -34.58 2 3 1 23 290.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4S,6S)-4,6-dimethyl-1,5-diazocan-1-yl]-N,N-diethyl-aniline 4-[(4S,6S)-4,6-dimethyl-1,5-diaz…

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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) 3.74 9.69 -47.89 3 3 0 24 291.483 4 ↓
Hi High (pH 8-9.5) 3.74 9.62 -34.56 2 3 1 23 290.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(3S)-3-methyl-1,5-diazocan-1-yl]aniline N,N-diethyl-4-[(3S)-3-methyl-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) 3.21 9.18 -40.43 3 3 0 24 277.456 4 ↓
Hi High (pH 8-9.5) 3.21 9.1 -33.81 2 3 1 23 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(3R)-3-methyl-1,5-diazocan-1-yl]aniline N,N-diethyl-4-[(3R)-3-methyl-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) 3.21 9.21 -40.41 3 3 0 24 277.456 4 ↓
Hi High (pH 8-9.5) 3.21 9.11 -34.03 2 3 1 23 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,7R)-3,7-dimethyl-1,5-diazocan-1-yl]-N,N-diethyl-aniline 4-[(3S,7R)-3,7-dimethyl-1,5-diaz…

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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) 3.68 9.23 -46.08 3 3 0 24 291.483 4 ↓
Hi High (pH 8-9.5) 3.68 9.13 -35.72 2 3 1 23 290.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,7S)-3,7-dimethyl-1,5-diazocan-1-yl]-N,N-diethyl-aniline 4-[(3S,7S)-3,7-dimethyl-1,5-diaz…

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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) 3.68 9.71 -40.05 3 3 0 24 291.483 4 ↓
Hi High (pH 8-9.5) 3.68 9.63 -33.7 2 3 1 23 290.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R,7R)-3,7-dimethyl-1,5-diazocan-1-yl]-N,N-diethyl-aniline 4-[(3R,7R)-3,7-dimethyl-1,5-diaz…

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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) 3.68 9.71 -40.54 3 3 0 24 291.483 4 ↓
Hi High (pH 8-9.5) 3.68 9.62 -33.71 2 3 1 23 290.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,5-diazocan-1-yl)-N,N-diethyl-aniline 4-(1,5-diazocan-1-yl)-N,N-diethy…

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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) 2.73 8.61 -40.92 3 3 0 24 263.429 4 ↓
Hi High (pH 8-9.5) 2.73 8.52 -34.11 2 3 1 23 262.421 4 ↓

Parameters Provided:

ring.id = 266407
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 = 266407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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