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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: (2S)-N-[(3S)-quinuclidin-3-yl]piperazine-2-carboxamide (2S)-N-[(3S)-quinuclidin-3-yl]pi…

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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) -0.86 0.8 -97.5 5 5 2 62 240.351 2 ↓
Mid Mid (pH 6-8) -0.86 -0.54 -38.87 4 5 1 58 239.343 2 ↓

Analogs

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Popular Name: (2S)-N-[(3R)-quinuclidin-3-yl]piperazine-2-carboxamide (2S)-N-[(3R)-quinuclidin-3-yl]pi…

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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) -0.86 0.8 -93.22 5 5 2 62 240.351 2 ↓
Mid Mid (pH 6-8) -0.86 -0.54 -38.69 4 5 1 58 239.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-quinuclidin-3-yl]piperazine-2-carboxamide (2R)-N-[(3S)-quinuclidin-3-yl]pi…

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) -0.86 0.76 -92.6 5 5 2 62 240.351 2 ↓
Mid Mid (pH 6-8) -0.86 -0.59 -38.05 4 5 1 58 239.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-quinuclidin-3-yl]piperazine-2-carboxamide (2R)-N-[(3R)-quinuclidin-3-yl]pi…

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) -0.86 0.76 -98.19 5 5 2 62 240.351 2 ↓
Mid Mid (pH 6-8) -0.86 -0.59 -38.89 4 5 1 58 239.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-5-methyl-N-[(3S)-quinuclidin-3-yl]piperazine-2-carboxamide (2S,5R)-5-methyl-N-[(3S)-quinucl…

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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) -0.18 1.37 -99.59 5 5 2 62 254.378 2 ↓
Mid Mid (pH 6-8) -0.18 0.23 -37.47 4 5 1 58 253.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-methyl-N-[(3S)-quinuclidin-3-yl]piperazine-2-carboxamide (2S,5S)-5-methyl-N-[(3S)-quinucl…

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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) -0.18 1.44 -96.78 5 5 2 62 254.378 2 ↓
Mid Mid (pH 6-8) -0.18 0.18 -38.68 4 5 1 58 253.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-methyl-N-[(3S)-quinuclidin-3-yl]piperazine-2-carboxamide (2R,5R)-5-methyl-N-[(3S)-quinucl…

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) -0.18 1.49 -91.55 5 5 2 62 254.378 2 ↓
Mid Mid (pH 6-8) -0.18 0.22 -38.56 4 5 1 58 253.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-methyl-N-[(3S)-quinuclidin-3-yl]piperazine-2-carboxamide (2R,5S)-5-methyl-N-[(3S)-quinucl…

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) -0.18 1.4 -90.6 5 5 2 62 254.378 2 ↓
Mid Mid (pH 6-8) -0.18 0.13 -38.24 4 5 1 58 253.37 2 ↓

Parameters Provided:

ring.id = 278978
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 = 278978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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