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

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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 8.85 -80.75 3 3 2 21 281.488 5 ↓
Lo Low (pH 4.5-6) 2.76 9.54 -189.43 4 3 3 25 282.496 5 ↓

Analogs

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

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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 9.06 -79.48 3 3 2 21 281.488 5 ↓
Lo Low (pH 4.5-6) 2.76 9.65 -186.75 4 3 3 25 282.496 5 ↓

Analogs

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

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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 8.1 -79.74 3 3 2 21 267.461 4 ↓
Lo Low (pH 4.5-6) 2.26 8.8 -187.46 4 3 3 25 268.469 4 ↓

Analogs

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

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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 8.32 -78.45 3 3 2 21 267.461 4 ↓
Lo Low (pH 4.5-6) 2.26 8.9 -184.93 4 3 3 25 268.469 4 ↓

Analogs

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

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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) 1.88 7.33 -76.43 3 3 2 21 253.434 3 ↓
Lo Low (pH 4.5-6) 1.88 8.16 -188 4 3 3 25 254.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.88 7.66 -78.78 3 3 2 21 253.434 3 ↓
Lo Low (pH 4.5-6) 1.88 8.25 -183.52 4 3 3 25 254.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.88 7.27 -76.44 3 3 2 21 253.434 3 ↓
Lo Low (pH 4.5-6) 1.88 8.3 -179.73 4 3 3 25 254.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.88 7.45 -80.21 3 3 2 21 253.434 3 ↓
Lo Low (pH 4.5-6) 1.88 8.15 -186.3 4 3 3 25 254.442 3 ↓

Parameters Provided:

ring.id = 547767
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 = 547767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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