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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-(1H-imidazol-5-ylmethyl)quinuclidin-3-amine (3S)-N-(1H-imidazol-5-ylmethyl)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) 0.38 4.86 -81.8 4 4 2 46 208.309 3 ↓
Mid Mid (pH 6-8) 0.38 4.4 -33.92 3 4 1 45 207.301 3 ↓
Mid Mid (pH 6-8) 0.38 4.38 -39.39 3 4 1 45 207.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1H-imidazol-5-ylmethyl)quinuclidin-3-amine (3R)-N-(1H-imidazol-5-ylmethyl)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) 0.38 4.78 -83.62 4 4 2 46 208.309 3 ↓
Mid Mid (pH 6-8) 0.38 4.29 -39.6 3 4 1 45 207.301 3 ↓
Mid Mid (pH 6-8) 0.38 4.32 -40.38 3 4 1 45 207.301 3 ↓

Analogs

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Popular Name: (3S)-N-[(4-methyl-1H-imidazol-5-yl)methyl]quinuclidin-3-amine (3S)-N-[(4-methyl-1H-imidazol-5-…

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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) 0.60 5.43 -81.06 4 4 2 46 222.336 3 ↓
Mid Mid (pH 6-8) 0.60 4.93 -34.1 3 4 1 45 221.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4-methyl-1H-imidazol-5-yl)methyl]quinuclidin-3-amine (3R)-N-[(4-methyl-1H-imidazol-5-…

Find On: PubMed — Wikipedia — Google

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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) 0.60 5.35 -83.18 4 4 2 46 222.336 3 ↓
Mid Mid (pH 6-8) 0.60 4.84 -41.26 3 4 1 45 221.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2-methyl-1H-imidazol-4-yl)methyl]quinuclidin-3-amine (3S)-N-[(2-methyl-1H-imidazol-4-…

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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) 0.46 4.67 -78.51 4 4 2 46 222.336 3 ↓
Mid Mid (pH 6-8) 0.46 4.26 -33.89 3 4 1 45 221.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2-methyl-1H-imidazol-4-yl)methyl]quinuclidin-3-amine (3R)-N-[(2-methyl-1H-imidazol-4-…

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) 0.46 4.59 -80.84 4 4 2 46 222.336 3 ↓
Mid Mid (pH 6-8) 0.46 4.18 -40.46 3 4 1 45 221.328 3 ↓

Parameters Provided:

ring.id = 152516
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 = 152516 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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