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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2R,4aS,8aR)-decalin-2-yl]quinuclidin-3-amine (3S)-N-[(2R,4aS,8aR)-decalin-2-y…

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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) 3.56 9.1 -111.59 3 2 2 21 264.457 2 ↓
Hi High (pH 8-9.5) 3.56 6.66 -37.69 2 2 1 20 263.449 2 ↓
Mid Mid (pH 6-8) 3.56 8.33 -31.54 2 2 1 16 263.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2R,4aS,8aS)-decalin-2-yl]quinuclidin-3-amine (3S)-N-[(2R,4aS,8aS)-decalin-2-y…

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) 3.56 9.67 -110.27 3 2 2 21 264.457 2 ↓
Hi High (pH 8-9.5) 3.56 7.23 -35.67 2 2 1 20 263.449 2 ↓
Mid Mid (pH 6-8) 3.56 9 -31.9 2 2 1 16 263.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2S,4aS,8aR)-decalin-2-yl]quinuclidin-3-amine (3S)-N-[(2S,4aS,8aR)-decalin-2-y…

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) 3.56 9.11 -111.08 3 2 2 21 264.457 2 ↓
Hi High (pH 8-9.5) 3.56 6.68 -37.15 2 2 1 20 263.449 2 ↓
Mid Mid (pH 6-8) 3.56 8.1 -31.73 2 2 1 16 263.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2S,4aS,8aS)-decalin-2-yl]quinuclidin-3-amine (3S)-N-[(2S,4aS,8aS)-decalin-2-y…

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) 3.56 9.47 -110.33 3 2 2 21 264.457 2 ↓
Hi High (pH 8-9.5) 3.56 7.03 -37.11 2 2 1 20 263.449 2 ↓
Mid Mid (pH 6-8) 3.56 8.46 -31.51 2 2 1 16 263.449 2 ↓

Parameters Provided:

ring.id = 547898
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 = 547898 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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