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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: (4aS,6R,8aR)-2-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinoline-6-carboxylic (4aS,6R,8aR)-2-(trifluoromethyl)…

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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) 1.72 5.57 -42.6 0 3 -1 52 246.208 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,6R,8aS)-2-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinoline-6-carboxylic (4aS,6R,8aS)-2-(trifluoromethyl)…

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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) 1.72 5.77 -50.1 0 3 -1 52 246.208 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,6R,8aR)-2-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinoline-6-carboxylic (4aR,6R,8aR)-2-(trifluoromethyl)…

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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) 1.72 5.46 -41.64 0 3 -1 52 246.208 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,6R,8aS)-2-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydroquinoline-6-carboxylic (4aR,6R,8aS)-2-(trifluoromethyl)…

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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) 1.72 5.41 -47.05 0 3 -1 52 246.208 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline-2,4-diamine (4aR,8aR)-4a,5,6,7,8,8a-hexahydr…

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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) 1.32 1.59 -23.92 5 3 1 66 166.248 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,8aS)-4a,5,6,7,8,8a-hexahydroquinoline-2,4-diamine (4aR,8aS)-4a,5,6,7,8,8a-hexahydr…

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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) 1.32 1.55 -24.24 5 3 1 66 166.248 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4a,5,6,7,8,8a-hexahydroquinoline-2,4-diamine (4aS,8aR)-4a,5,6,7,8,8a-hexahydr…

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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) 1.32 1.55 -24.24 5 3 1 66 166.248 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4a,5,6,7,8,8a-hexahydroquinoline-2,4-diamine (4aS,8aS)-4a,5,6,7,8,8a-hexahydr…

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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) 1.32 1.59 -23.95 5 3 1 66 166.248 0 ↓

Parameters Provided:

ring.id = 462770
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 = 462770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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