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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-[(4R)-6-bromochroman-4-yl]quinuclidin-3-amine (3S)-N-[(4R)-6-bromochroman-4-yl…

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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) 2.36 7.53 -36.96 2 3 1 26 338.269 2 ↓
Lo Low (pH 4.5-6) 2.36 8.13 -117.92 3 3 2 30 339.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4S)-6-bromochroman-4-yl]quinuclidin-3-amine (3S)-N-[(4S)-6-bromochroman-4-yl…

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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) 2.36 7.14 -37.27 2 3 1 26 338.269 2 ↓
Lo Low (pH 4.5-6) 2.36 7.94 -117.43 3 3 2 30 339.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4R)-6-bromochroman-4-yl]quinuclidin-3-amine (3R)-N-[(4R)-6-bromochroman-4-yl…

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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) 2.36 7.33 -40.32 2 3 1 26 338.269 2 ↓
Lo Low (pH 4.5-6) 2.36 7.96 -117.48 3 3 2 30 339.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4S)-6-bromochroman-4-yl]quinuclidin-3-amine (3R)-N-[(4S)-6-bromochroman-4-yl…

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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) 2.36 7.24 -38.94 2 3 1 26 338.269 2 ↓
Lo Low (pH 4.5-6) 2.36 8.12 -117.9 3 3 2 30 339.277 2 ↓

Analogs

44516798
44516798
44516800
44516800

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4R)-6-methoxychroman-4-yl]quinuclidin-3-amine (3S)-N-[(4R)-6-methoxychroman-4-…

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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) 1.60 6.21 -37.32 2 4 1 35 289.399 3 ↓
Lo Low (pH 4.5-6) 1.60 6.79 -116.09 3 4 2 40 290.407 3 ↓

Analogs

44516798
44516798
44516800
44516800

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4S)-6-methoxychroman-4-yl]quinuclidin-3-amine (3S)-N-[(4S)-6-methoxychroman-4-…

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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) 1.60 5.82 -37.8 2 4 1 35 289.399 3 ↓
Lo Low (pH 4.5-6) 1.60 6.6 -115.33 3 4 2 40 290.407 3 ↓

Analogs

44516798
44516798
44516800
44516800

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4R)-6-methoxychroman-4-yl]quinuclidin-3-amine (3R)-N-[(4R)-6-methoxychroman-4-…

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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) 1.60 6 -40.96 2 4 1 35 289.399 3 ↓
Lo Low (pH 4.5-6) 1.60 6.63 -115.35 3 4 2 40 290.407 3 ↓

Analogs

44516798
44516798
44516800
44516800

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4S)-6-methoxychroman-4-yl]quinuclidin-3-amine (3R)-N-[(4S)-6-methoxychroman-4-…

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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) 1.60 5.91 -39.29 2 4 1 35 289.399 3 ↓
Lo Low (pH 4.5-6) 1.60 6.78 -116.07 3 4 2 40 290.407 3 ↓

Analogs

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Popular Name: (3S)-N-[(4R)-6,8-dichlorochroman-4-yl]quinuclidin-3-amine (3S)-N-[(4R)-6,8-dichlorochroman…

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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) 2.83 7.99 -39.59 2 3 1 26 328.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4S)-6,8-dichlorochroman-4-yl]quinuclidin-3-amine (3S)-N-[(4S)-6,8-dichlorochroman…

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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) 2.83 7.59 -39.19 2 3 1 26 328.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4R)-6,8-dichlorochroman-4-yl]quinuclidin-3-amine (3R)-N-[(4R)-6,8-dichlorochroman…

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) 2.83 7.77 -42.09 2 3 1 26 328.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4S)-6,8-dichlorochroman-4-yl]quinuclidin-3-amine (3R)-N-[(4S)-6,8-dichlorochroman…

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) 2.83 7.69 -41.76 2 3 1 26 328.263 2 ↓

Parameters Provided:

ring.id = 547906
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 = 547906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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