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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: (2S)-2-[2-(m-tolyl)ethyl]azepane (2S)-2-[2-(m-tolyl)ethyl]azepane

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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) 4.24 9.04 -39.57 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (2R)-2-[2-(m-tolyl)ethyl]azepane (2R)-2-[2-(m-tolyl)ethyl]azepane

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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) 4.24 8.98 -39.5 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (2S)-2-[2-(o-tolyl)ethyl]azepane (2S)-2-[2-(o-tolyl)ethyl]azepane

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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) 4.22 8.86 -40.87 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (2R)-2-[2-(o-tolyl)ethyl]azepane (2R)-2-[2-(o-tolyl)ethyl]azepane

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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) 4.22 8.79 -40.01 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (2S)-2-[2-(p-tolyl)ethyl]azepane (2S)-2-[2-(p-tolyl)ethyl]azepane

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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) 4.27 9.05 -39.48 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (2R)-2-[2-(p-tolyl)ethyl]azepane (2R)-2-[2-(p-tolyl)ethyl]azepane

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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) 4.27 8.99 -39.23 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (1S)-1-[(2S)-azepan-2-yl]-2-phenyl-ethanol (1S)-1-[(2S)-azepan-2-yl]-2-phen…

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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) 2.66 5.45 -44.14 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1R)-1-[(2S)-azepan-2-yl]-2-phenyl-ethanol (1R)-1-[(2S)-azepan-2-yl]-2-phen…

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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) 2.66 5.12 -39.16 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1S)-1-[(2R)-azepan-2-yl]-2-phenyl-ethanol (1S)-1-[(2R)-azepan-2-yl]-2-phen…

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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) 2.66 5.02 -38.84 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (1R)-1-[(2R)-azepan-2-yl]-2-phenyl-ethanol (1R)-1-[(2R)-azepan-2-yl]-2-phen…

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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) 2.66 5.35 -43.69 3 2 1 37 220.336 3 ↓

Analogs

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Popular Name: (2R)-2-[(2S)-azepan-2-yl]-1-(4-methoxyphenyl)propan-2-ol (2R)-2-[(2S)-azepan-2-yl]-1-(4-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) 3.16 4.92 -40.75 3 3 1 46 264.389 4 ↓

Analogs

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Popular Name: (2S)-2-[(2S)-azepan-2-yl]-1-(4-methoxyphenyl)propan-2-ol (2S)-2-[(2S)-azepan-2-yl]-1-(4-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) 3.16 5.06 -47.24 3 3 1 46 264.389 4 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-azepan-2-yl]-1-(4-methoxyphenyl)propan-2-ol (2R)-2-[(2R)-azepan-2-yl]-1-(4-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) 3.16 4.97 -45.3 3 3 1 46 264.389 4 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-azepan-2-yl]-1-(4-methoxyphenyl)propan-2-ol (2S)-2-[(2R)-azepan-2-yl]-1-(4-m…

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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) 3.16 4.79 -39.75 3 3 1 46 264.389 4 ↓

Analogs

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Popular Name: (1S,2S)-1-[(2S)-azepan-2-yl]-2-phenyl-propan-1-ol (1S,2S)-1-[(2S)-azepan-2-yl]-2-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) 3.46 5.76 -42.97 3 2 1 37 234.363 3 ↓

Analogs

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Popular Name: (1S,2R)-1-[(2S)-azepan-2-yl]-2-phenyl-propan-1-ol (1S,2R)-1-[(2S)-azepan-2-yl]-2-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) 3.46 5.81 -39.37 3 2 1 37 234.363 3 ↓

Analogs

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Popular Name: (1R,2S)-1-[(2S)-azepan-2-yl]-2-phenyl-propan-1-ol (1R,2S)-1-[(2S)-azepan-2-yl]-2-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) 3.46 5.49 -35.29 3 2 1 37 234.363 3 ↓

Analogs

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Popular Name: (1R,2R)-1-[(2S)-azepan-2-yl]-2-phenyl-propan-1-ol (1R,2R)-1-[(2S)-azepan-2-yl]-2-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) 3.46 5.43 -39.19 3 2 1 37 234.363 3 ↓

Parameters Provided:

ring.id = 38852
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 38852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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