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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

19862372
19862372

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Popular Name: (3S)-N-[(R)-cyclopropyl(phenyl)methyl]quinuclidin-3-amine (3S)-N-[(R)-cyclopropyl(phenyl)m…

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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) 3.20 9.16 -33.3 2 2 1 16 257.401 4 ↓
Lo Low (pH 4.5-6) 3.20 9.83 -109.33 3 2 2 21 258.409 4 ↓

Analogs

19862372
19862372

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Popular Name: (3S)-N-[(S)-cyclopropyl(phenyl)methyl]quinuclidin-3-amine (3S)-N-[(S)-cyclopropyl(phenyl)m…

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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) 3.20 8.9 -33.43 2 2 1 16 257.401 4 ↓
Lo Low (pH 4.5-6) 3.20 9.82 -109.36 3 2 2 21 258.409 4 ↓

Analogs

19862372
19862372

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(R)-cyclopropyl(phenyl)methyl]quinuclidin-3-amine (3R)-N-[(R)-cyclopropyl(phenyl)m…

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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) 3.20 9.03 -36.66 2 2 1 16 257.401 4 ↓
Lo Low (pH 4.5-6) 3.20 9.62 -109 3 2 2 21 258.409 4 ↓

Analogs

19862372
19862372

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(S)-cyclopropyl(phenyl)methyl]quinuclidin-3-amine (3R)-N-[(S)-cyclopropyl(phenyl)m…

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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) 3.20 9.06 -34.79 2 2 1 16 257.401 4 ↓
Lo Low (pH 4.5-6) 3.20 9.83 -109.35 3 2 2 21 258.409 4 ↓

Analogs

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Popular Name: (3S)-N-[(R)-cyclopropyl(p-tolyl)methyl]quinuclidin-3-amine (3S)-N-[(R)-cyclopropyl(p-tolyl)…

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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) 3.65 9.6 -33.2 2 2 1 16 271.428 4 ↓
Lo Low (pH 4.5-6) 3.65 10.29 -110.39 3 2 2 21 272.436 4 ↓

Analogs

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Popular Name: (3S)-N-[(S)-cyclopropyl(p-tolyl)methyl]quinuclidin-3-amine (3S)-N-[(S)-cyclopropyl(p-tolyl)…

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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) 3.65 9.51 -33.4 2 2 1 16 271.428 4 ↓
Lo Low (pH 4.5-6) 3.65 10.27 -109.25 3 2 2 21 272.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(R)-cyclopropyl(p-tolyl)methyl]quinuclidin-3-amine (3R)-N-[(R)-cyclopropyl(p-tolyl)…

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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) 3.65 9.7 -36.68 2 2 1 16 271.428 4 ↓
Lo Low (pH 4.5-6) 3.65 10.29 -109.33 3 2 2 21 272.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(S)-cyclopropyl(p-tolyl)methyl]quinuclidin-3-amine (3R)-N-[(S)-cyclopropyl(p-tolyl)…

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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) 3.65 9.74 -34.74 2 2 1 16 271.428 4 ↓
Lo Low (pH 4.5-6) 3.65 10.5 -109.51 3 2 2 21 272.436 4 ↓

Analogs

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Popular Name: (3S)-N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]quinuclidin-3-amine (3S)-N-[(R)-(4-chlorophenyl)-cyc…

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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) 3.88 9.45 -35.29 2 2 1 16 291.846 4 ↓
Lo Low (pH 4.5-6) 3.88 10.13 -116.42 3 2 2 21 292.854 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]quinuclidin-3-amine (3S)-N-[(S)-(4-chlorophenyl)-cyc…

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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) 3.88 9.36 -35.54 2 2 1 16 291.846 4 ↓
Lo Low (pH 4.5-6) 3.88 10.11 -115.3 3 2 2 21 292.854 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]quinuclidin-3-amine (3R)-N-[(R)-(4-chlorophenyl)-cyc…

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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) 3.88 9.54 -38.56 2 2 1 16 291.846 4 ↓
Lo Low (pH 4.5-6) 3.88 10.14 -115.31 3 2 2 21 292.854 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]quinuclidin-3-amine (3R)-N-[(S)-(4-chlorophenyl)-cyc…

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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) 3.88 9.58 -36.77 2 2 1 16 291.846 4 ↓
Lo Low (pH 4.5-6) 3.88 10.35 -115.53 3 2 2 21 292.854 4 ↓

Analogs

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Popular Name: (3S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]quinuclidin-3-amine (3S)-N-[(R)-cyclopropyl-(4-fluor…

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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) 3.37 8.99 -36.27 2 2 1 16 275.391 4 ↓
Lo Low (pH 4.5-6) 3.37 9.67 -117.57 3 2 2 21 276.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]quinuclidin-3-amine (3S)-N-[(S)-cyclopropyl-(4-fluor…

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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) 3.37 8.9 -36.43 2 2 1 16 275.391 4 ↓
Lo Low (pH 4.5-6) 3.37 9.66 -116.34 3 2 2 21 276.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]quinuclidin-3-amine (3R)-N-[(R)-cyclopropyl-(4-fluor…

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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) 3.37 9.08 -39.57 2 2 1 16 275.391 4 ↓
Lo Low (pH 4.5-6) 3.37 9.69 -116.39 3 2 2 21 276.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]quinuclidin-3-amine (3R)-N-[(S)-cyclopropyl-(4-fluor…

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) 3.37 9.12 -37.72 2 2 1 16 275.391 4 ↓
Lo Low (pH 4.5-6) 3.37 9.88 -116.66 3 2 2 21 276.399 4 ↓

Parameters Provided:

ring.id = 135716
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 = 135716 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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