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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: (2R)-1-[(2-chloro-3-pyridyl)methyl]-2-methyl-azepane (2R)-1-[(2-chloro-3-pyridyl)meth…

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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 7.81 -33.72 1 2 1 17 239.77 2 ↓
Hi High (pH 8-9.5) 3.21 5.78 -5 0 2 0 16 238.762 2 ↓

Analogs

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Popular Name: (2S)-1-[(2-chloro-3-pyridyl)methyl]-2-methyl-azepane (2S)-1-[(2-chloro-3-pyridyl)meth…

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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 7.8 -33.76 1 2 1 17 239.77 2 ↓
Hi High (pH 8-9.5) 3.21 5.77 -4.98 0 2 0 16 238.762 2 ↓

Analogs

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Popular Name: (2R)-1-[(6-chloro-3-pyridyl)methyl]-2-methyl-azepane (2R)-1-[(6-chloro-3-pyridyl)meth…

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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) 3.27 7.69 -38.72 1 2 1 17 239.77 2 ↓
Hi High (pH 8-9.5) 3.27 5.67 -3.78 0 2 0 16 238.762 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(6-chloro-3-pyridyl)methyl]-2-methyl-azepane (2S)-1-[(6-chloro-3-pyridyl)meth…

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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) 3.27 7.76 -39.29 1 2 1 17 239.77 2 ↓
Hi High (pH 8-9.5) 3.27 5.74 -4.1 0 2 0 16 238.762 2 ↓

Analogs

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Popular Name: 5-[[(2R)-2-methylazepan-1-yl]methyl]pyridin-2-amine 5-[[(2R)-2-methylazepan-1-yl]met…

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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) 2.07 6.01 -33.08 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 2.07 6.48 -92.1 4 3 2 45 221.348 2 ↓

Analogs

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Popular Name: 5-[[(2S)-2-methylazepan-1-yl]methyl]pyridin-2-amine 5-[[(2S)-2-methylazepan-1-yl]met…

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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) 2.07 6.08 -33.45 3 3 1 43 220.34 2 ↓
Mid Mid (pH 6-8) 2.07 6.55 -91.43 4 3 2 45 221.348 2 ↓

Analogs

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Popular Name: 3-[[(2R)-2-methylazepan-1-yl]methyl]pyridin-2-amine 3-[[(2R)-2-methylazepan-1-yl]met…

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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 6.35 -33.29 3 3 1 43 220.34 2 ↓
Hi High (pH 8-9.5) 2.02 4.25 -3.46 2 3 0 42 219.332 2 ↓
Mid Mid (pH 6-8) 2.02 6.82 -90.08 4 3 2 45 221.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S)-2-methylazepan-1-yl]methyl]pyridin-2-amine 3-[[(2S)-2-methylazepan-1-yl]met…

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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 6.27 -33.53 3 3 1 43 220.34 2 ↓
Hi High (pH 8-9.5) 2.02 4.18 -3.66 2 3 0 42 219.332 2 ↓
Mid Mid (pH 6-8) 2.02 6.75 -90.15 4 3 2 45 221.348 2 ↓

Analogs

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Popular Name: [5-[[(2R)-2-methylazepan-1-yl]methyl]-2-pyridyl]hydrazine [5-[[(2R)-2-methylazepan-1-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) 1.83 5.91 -34.11 4 4 1 55 235.355 3 ↓
Lo Low (pH 4.5-6) 1.83 6.39 -90.85 5 4 2 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(2S)-2-methylazepan-1-yl]methyl]-2-pyridyl]hydrazine [5-[[(2S)-2-methylazepan-1-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) 1.83 5.98 -34.68 4 4 1 55 235.355 3 ↓
Lo Low (pH 4.5-6) 1.83 6.46 -90.5 5 4 2 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R)-2-methylazepan-1-yl]methyl]-2-pyridyl]hydrazine [3-[[(2R)-2-methylazepan-1-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) 1.78 6.18 -35.16 4 4 1 55 235.355 3 ↓
Lo Low (pH 4.5-6) 1.78 6.66 -89.31 5 4 2 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S)-2-methylazepan-1-yl]methyl]-2-pyridyl]hydrazine [3-[[(2S)-2-methylazepan-1-yl]me…

Find On: PubMed — Wikipedia — Google

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) 1.78 6.14 -34.86 4 4 1 55 235.355 3 ↓
Lo Low (pH 4.5-6) 1.78 6.62 -88.9 5 4 2 57 236.363 3 ↓

Parameters Provided:

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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 = 502758 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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