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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: (3S)-N-(6-chloropyrimidin-4-yl)quinuclidin-3-amine (3S)-N-(6-chloropyrimidin-4-yl)q…

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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) 1.67 6.2 -40.85 2 4 1 42 239.73 2 ↓

Analogs

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Popular Name: (3R)-N-(6-chloropyrimidin-4-yl)quinuclidin-3-amine (3R)-N-(6-chloropyrimidin-4-yl)q…

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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) 1.67 6.2 -40.81 2 4 1 42 239.73 2 ↓

Analogs

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Popular Name: (3S)-N-(2-chloro-6-methyl-pyrimidin-4-yl)quinuclidin-3-amine (3S)-N-(2-chloro-6-methyl-pyrimi…

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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) 2.08 6.19 -44.35 2 4 1 42 253.757 2 ↓
Hi High (pH 8-9.5) 2.08 3.77 -5.83 1 4 0 41 252.749 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-chloro-6-methyl-pyrimidin-4-yl)quinuclidin-3-amine (3R)-N-(2-chloro-6-methyl-pyrimi…

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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) 2.08 6.19 -44.28 2 4 1 42 253.757 2 ↓
Hi High (pH 8-9.5) 2.08 3.77 -5.85 1 4 0 41 252.749 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(6-chloro-2-methyl-pyrimidin-4-yl)quinuclidin-3-amine (3S)-N-(6-chloro-2-methyl-pyrimi…

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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) 1.75 6.15 -40.99 2 4 1 42 253.757 2 ↓
Hi High (pH 8-9.5) 1.75 3.73 -4.34 1 4 0 41 252.749 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(6-chloro-2-methyl-pyrimidin-4-yl)quinuclidin-3-amine (3R)-N-(6-chloro-2-methyl-pyrimi…

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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) 1.75 6.15 -40.99 2 4 1 42 253.757 2 ↓
Hi High (pH 8-9.5) 1.75 3.72 -4.31 1 4 0 41 252.749 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methylpyrimidin-4-yl)quinuclidin-3-amine (3S)-N-(2-methylpyrimidin-4-yl)q…

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) 0.73 5.75 -41.11 2 4 1 42 219.312 2 ↓
Hi High (pH 8-9.5) 0.73 3.32 -5.13 1 4 0 41 218.304 2 ↓
Mid Mid (pH 6-8) 0.73 6.19 -85.93 3 4 2 43 220.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methylpyrimidin-4-yl)quinuclidin-3-amine (3R)-N-(2-methylpyrimidin-4-yl)q…

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) 0.73 5.75 -41.09 2 4 1 42 219.312 2 ↓
Hi High (pH 8-9.5) 0.73 3.32 -5.13 1 4 0 41 218.304 2 ↓
Mid Mid (pH 6-8) 0.73 6.19 -85.91 3 4 2 43 220.32 2 ↓

Parameters Provided:

ring.id = 21806
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 = 21806 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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