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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-[(1S,2S)-2-cyclohexylcyclohexyl]quinuclidin-3-amine (3S)-N-[(1S,2S)-2-cyclohexylcycl…

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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) 4.81 10.92 -109.6 3 2 2 21 292.511 3 ↓
Hi High (pH 8-9.5) 4.81 8.48 -33.6 2 2 1 20 291.503 3 ↓
Hi High (pH 8-9.5) 4.81 10.31 -32.45 2 2 1 16 291.503 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S,2R)-2-cyclohexylcyclohexyl]quinuclidin-3-amine (3S)-N-[(1S,2R)-2-cyclohexylcycl…

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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) 4.81 10.49 -112.67 3 2 2 21 292.511 3 ↓
Hi High (pH 8-9.5) 4.81 8.06 -36.89 2 2 1 20 291.503 3 ↓
Hi High (pH 8-9.5) 4.81 9.73 -31.87 2 2 1 16 291.503 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,2S)-2-cyclohexylcyclohexyl]quinuclidin-3-amine (3S)-N-[(1R,2S)-2-cyclohexylcycl…

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) 4.81 10.63 -113.06 3 2 2 21 292.511 3 ↓
Hi High (pH 8-9.5) 4.81 8.21 -36.06 2 2 1 20 291.503 3 ↓
Hi High (pH 8-9.5) 4.81 10.08 -33.59 2 2 1 16 291.503 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,2R)-2-cyclohexylcyclohexyl]quinuclidin-3-amine (3S)-N-[(1R,2R)-2-cyclohexylcycl…

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) 4.81 10.91 -111.6 3 2 2 21 292.511 3 ↓
Hi High (pH 8-9.5) 4.81 8.49 -33.91 2 2 1 20 291.503 3 ↓
Hi High (pH 8-9.5) 4.81 10.37 -33.97 2 2 1 16 291.503 3 ↓

Parameters Provided:

ring.id = 547895
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 = 547895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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