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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: (4aR,8aS)-1-[[(3S)-3-ethyl-3-piperidyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[[(3S)-3-ethyl-3-pip…

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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) 3.30 9.11 -102.74 3 2 2 21 266.473 3 ↓
Hi High (pH 8-9.5) 3.30 7.39 -36.61 2 2 1 20 265.465 3 ↓
Hi High (pH 8-9.5) 3.30 7.79 -30.17 2 2 1 16 265.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,8aS)-1-[[(3R)-3-ethyl-3-piperidyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[[(3R)-3-ethyl-3-pip…

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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) 3.30 9.26 -104.26 3 2 2 21 266.473 3 ↓
Hi High (pH 8-9.5) 3.30 7.53 -36.07 2 2 1 20 265.465 3 ↓
Hi High (pH 8-9.5) 3.30 7.96 -30.15 2 2 1 16 265.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,8aS)-1-[[(3S)-3-methyl-3-piperidyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[[(3S)-3-methyl-3-pi…

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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) 2.97 8.72 -101.5 3 2 2 21 252.446 2 ↓
Hi High (pH 8-9.5) 2.97 7.42 -30.23 2 2 1 16 251.438 2 ↓
Hi High (pH 8-9.5) 2.97 7.25 -37.14 2 2 1 20 251.438 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,8aS)-1-[[(3R)-3-methyl-3-piperidyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[[(3R)-3-methyl-3-pi…

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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) 2.97 8.78 -95.91 3 2 2 21 252.446 2 ↓
Hi High (pH 8-9.5) 2.97 7.68 -30.15 2 2 1 16 251.438 2 ↓
Hi High (pH 8-9.5) 2.97 7.06 -37 2 2 1 20 251.438 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,8aS)-1-[[(3S)-3-propyl-3-piperidyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[[(3S)-3-propyl-3-pi…

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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) 3.86 9.87 -104.39 3 2 2 21 280.5 4 ↓
Hi High (pH 8-9.5) 3.86 8.55 -30.68 2 2 1 16 279.492 4 ↓
Hi High (pH 8-9.5) 3.86 8.15 -36.97 2 2 1 20 279.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,8aS)-1-[[(3R)-3-propyl-3-piperidyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[[(3R)-3-propyl-3-pi…

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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) 3.86 10.02 -105.89 3 2 2 21 280.5 4 ↓
Hi High (pH 8-9.5) 3.86 8.3 -36.66 2 2 1 20 279.492 4 ↓
Hi High (pH 8-9.5) 3.86 8.71 -30.5 2 2 1 16 279.492 4 ↓

Parameters Provided:

ring.id = 293557
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 = 293557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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