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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-[(1R)-1-(1-propyl-4-piperidyl)ethyl]quinuclidin-3-amine (3S)-N-[(1R)-1-(1-propyl-4-piper…

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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) 2.76 8.88 -77.55 3 3 2 21 281.488 5 ↓
Mid Mid (pH 6-8) 2.76 9.57 -182.28 4 3 3 25 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(1-propyl-4-piperidyl)ethyl]quinuclidin-3-amine (3S)-N-[(1S)-1-(1-propyl-4-piper…

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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) 2.76 8.77 -76.36 3 3 2 21 281.488 5 ↓
Mid Mid (pH 6-8) 2.76 9.56 -184.31 4 3 3 25 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(1-propyl-4-piperidyl)ethyl]quinuclidin-3-amine (3R)-N-[(1R)-1-(1-propyl-4-piper…

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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) 2.76 8.83 -76.31 3 3 2 21 281.488 5 ↓
Mid Mid (pH 6-8) 2.76 9.75 -182.19 4 3 3 25 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(1-propyl-4-piperidyl)ethyl]quinuclidin-3-amine (3R)-N-[(1S)-1-(1-propyl-4-piper…

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) 2.76 8.88 -80.86 3 3 2 21 281.488 5 ↓
Mid Mid (pH 6-8) 2.76 9.6 -182.32 4 3 3 25 282.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]quinuclidin-3-amine (3S)-N-[(1R)-1-(1-ethyl-4-piperi…

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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) 2.26 8.35 -81.11 3 3 2 21 267.461 4 ↓
Mid Mid (pH 6-8) 2.26 8.95 -184.36 4 3 3 25 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]quinuclidin-3-amine (3S)-N-[(1S)-1-(1-ethyl-4-piperi…

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) 2.26 8.02 -75.35 3 3 2 21 267.461 4 ↓
Mid Mid (pH 6-8) 2.26 8.82 -182.31 4 3 3 25 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]quinuclidin-3-amine (3R)-N-[(1R)-1-(1-ethyl-4-piperi…

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) 2.26 8.09 -75.36 3 3 2 21 267.461 4 ↓
Mid Mid (pH 6-8) 2.26 9.01 -180.32 4 3 3 25 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]quinuclidin-3-amine (3R)-N-[(1S)-1-(1-ethyl-4-piperi…

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) 2.26 8.08 -86.32 3 3 2 21 267.461 4 ↓
Mid Mid (pH 6-8) 2.26 8.95 -184.35 4 3 3 25 268.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]quinuclidin-3-amine (3S)-N-[(1S)-1-(1-methyl-4-piper…

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) 1.88 7.37 -75.78 3 3 2 21 253.434 3 ↓
Mid Mid (pH 6-8) 1.88 8.17 -181.25 4 3 3 25 254.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]quinuclidin-3-amine (3S)-N-[(1R)-1-(1-methyl-4-piper…

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) 1.88 7.48 -76.81 3 3 2 21 253.434 3 ↓
Mid Mid (pH 6-8) 1.88 8.17 -179.48 4 3 3 25 254.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]quinuclidin-3-amine (3R)-N-[(1S)-1-(1-methyl-4-piper…

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) 1.88 7.48 -80.07 3 3 2 21 253.434 3 ↓
Mid Mid (pH 6-8) 1.88 8.21 -179.57 4 3 3 25 254.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]quinuclidin-3-amine (3R)-N-[(1R)-1-(1-methyl-4-piper…

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) 1.88 7.44 -75.82 3 3 2 21 253.434 3 ↓
Mid Mid (pH 6-8) 1.88 8.36 -179.33 4 3 3 25 254.442 3 ↓

Parameters Provided:

ring.id = 547766
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 = 547766 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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