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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-4-pyridyl)methyl]-2-methyl-azepane (2R)-1-[(2-chloro-4-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 7.78 -38.78 1 2 1 17 239.77 2 ↓
Hi High (pH 8-9.5) 3.21 5.76 -3.89 0 2 0 16 238.762 2 ↓

Analogs

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Popular Name: (2S)-1-[(2-chloro-4-pyridyl)methyl]-2-methyl-azepane (2S)-1-[(2-chloro-4-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 7.78 -39.46 1 2 1 17 239.77 2 ↓
Hi High (pH 8-9.5) 3.21 5.75 -4.18 0 2 0 16 238.762 2 ↓

Analogs

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Popular Name: 4-[[(2R)-2-methylazepan-1-yl]methyl]pyridin-2-amine 4-[[(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 6.11 -34.79 3 3 1 43 220.34 2 ↓
Hi High (pH 8-9.5) 2.02 4.08 -3.95 2 3 0 42 219.332 2 ↓

Analogs

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Popular Name: 4-[[(2S)-2-methylazepan-1-yl]methyl]pyridin-2-amine 4-[[(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 6.1 -34.79 3 3 1 43 220.34 2 ↓
Hi High (pH 8-9.5) 2.02 4.08 -3.96 2 3 0 42 219.332 2 ↓

Analogs

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Popular Name: [4-[[(2R)-2-methylazepan-1-yl]methyl]-2-pyridyl]hydrazine [4-[[(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 6.01 -36.59 4 4 1 55 235.355 3 ↓
Hi High (pH 8-9.5) 1.78 3.98 -5.06 3 4 0 54 234.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S)-2-methylazepan-1-yl]methyl]-2-pyridyl]hydrazine [4-[[(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 6.01 -36.51 4 4 1 55 235.355 3 ↓
Hi High (pH 8-9.5) 1.78 3.98 -5.05 3 4 0 54 234.347 3 ↓

Parameters Provided:

ring.id = 206579
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 = 206579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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