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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)-3-[(3-hydroxy-2-pyridyl)methyl]quinuclidin-3-ol (3R)-3-[(3-hydroxy-2-pyridyl)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) 1.16 1.55 -33.05 3 4 1 58 235.307 2 ↓
Hi High (pH 8-9.5) 1.16 2.3 -50.3 2 4 0 61 234.299 2 ↓
Mid Mid (pH 6-8) 1.16 3.54 -66.1 3 4 1 62 235.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(3-hydroxy-2-pyridyl)methyl]quinuclidin-3-ol (3S)-3-[(3-hydroxy-2-pyridyl)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) 1.16 2.14 -33.94 3 4 1 58 235.307 2 ↓
Hi High (pH 8-9.5) 1.16 2.62 -48.95 2 4 0 61 234.299 2 ↓
Mid Mid (pH 6-8) 1.16 3.76 -65.37 3 4 1 62 235.307 2 ↓

Analogs

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Popular Name: (3R)-3-[(6-bromo-3-hydroxy-2-pyridyl)methyl]quinuclidin-3-ol (3R)-3-[(6-bromo-3-hydroxy-2-pyr…

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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) 2.31 2.33 -32.01 3 4 1 58 314.203 2 ↓
Hi High (pH 8-9.5) 2.31 3.11 -42.38 2 4 0 61 313.195 2 ↓
Mid Mid (pH 6-8) 2.31 4.61 -52.38 3 4 1 62 314.203 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(6-bromo-3-hydroxy-2-pyridyl)methyl]quinuclidin-3-ol (3S)-3-[(6-bromo-3-hydroxy-2-pyr…

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) 2.31 2.23 -33.19 3 4 1 58 314.203 2 ↓
Hi High (pH 8-9.5) 2.31 2.79 -44.54 2 4 0 61 313.195 2 ↓
Mid Mid (pH 6-8) 2.31 3.99 -54.72 3 4 1 62 314.203 2 ↓

Analogs

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Popular Name: (3R)-3-[(4,6-dibromo-3-hydroxy-2-pyridyl)methyl]quinuclidin-3-ol (3R)-3-[(4,6-dibromo-3-hydroxy-2…

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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) 3.04 2.7 -33.63 3 4 1 58 393.099 2 ↓
Mid Mid (pH 6-8) 3.04 4.68 -55.79 3 4 1 62 393.099 2 ↓
Mid Mid (pH 6-8) 3.04 3.46 -41.62 2 4 0 61 392.091 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4,6-dibromo-3-hydroxy-2-pyridyl)methyl]quinuclidin-3-ol (3S)-3-[(4,6-dibromo-3-hydroxy-2…

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) 3.04 3.29 -34.3 3 4 1 58 393.099 2 ↓
Mid Mid (pH 6-8) 3.04 4.88 -55.21 3 4 1 62 393.099 2 ↓
Mid Mid (pH 6-8) 3.04 3.77 -40.69 2 4 0 61 392.091 2 ↓

Parameters Provided:

ring.id = 13998
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 = 13998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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