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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: (3R)-N-(6-methylpyridazin-3-yl)azepan-3-amine (3R)-N-(6-methylpyridazin-3-yl)a…

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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) 0.77 3.6 -93.45 4 4 2 56 208.309 2 ↓
Mid Mid (pH 6-8) 0.77 3.42 -48.81 3 4 1 54 207.301 2 ↓
Mid Mid (pH 6-8) 0.77 3.54 -87.83 4 4 2 56 208.309 2 ↓

Analogs

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Popular Name: (3S)-N-(6-methylpyridazin-3-yl)azepan-3-amine (3S)-N-(6-methylpyridazin-3-yl)a…

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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) 0.77 3.74 -93.61 4 4 2 56 208.309 2 ↓
Mid Mid (pH 6-8) 0.77 3.56 -49.98 3 4 1 54 207.301 2 ↓
Mid Mid (pH 6-8) 0.77 3.68 -88.31 4 4 2 56 208.309 2 ↓

Analogs

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Popular Name: (3R)-N-pyridazin-3-ylazepan-3-amine (3R)-N-pyridazin-3-ylazepan-3-amine

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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) 0.52 2.99 -93.53 4 4 2 56 194.282 2 ↓
Mid Mid (pH 6-8) 0.52 2.99 -90.36 4 4 2 56 194.282 2 ↓
Mid Mid (pH 6-8) 0.52 2.82 -48.53 3 4 1 54 193.274 2 ↓

Analogs

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Popular Name: (3S)-N-pyridazin-3-ylazepan-3-amine (3S)-N-pyridazin-3-ylazepan-3-amine

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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) 0.52 3.13 -93.76 4 4 2 56 194.282 2 ↓
Mid Mid (pH 6-8) 0.52 3.13 -90.8 4 4 2 56 194.282 2 ↓
Mid Mid (pH 6-8) 0.52 2.96 -49.71 3 4 1 54 193.274 2 ↓

Analogs

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Popular Name: (3R)-N-(6-chloropyridazin-3-yl)azepan-3-amine (3R)-N-(6-chloropyridazin-3-yl)a…

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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) 1.74 3.23 -50.49 3 4 1 54 227.719 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(6-chloropyridazin-3-yl)azepan-3-amine (3S)-N-(6-chloropyridazin-3-yl)a…

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) 1.74 3.36 -51.52 3 4 1 54 227.719 2 ↓

Parameters Provided:

ring.id = 395244
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 = 395244 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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