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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: 3,4-dihydro-2H-quinolin-1-ylcarbonylmethyl 3,4-dihydro-2H-quinolin-1-ylcarb…

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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) 3.55 -1.55 -16.56 2 7 0 87 409.486 7 ↓

Analogs

12953658
12953658
12953663
12953663
11319109
11319109

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)ethyl 1-(3,4-dihydro-2H-quinolin-1-ylc…

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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) 2.88 -1.26 -19.78 0 6 0 81 387.457 5 ↓

Analogs

12953658
12953658
12953663
12953663
11319109
11319109

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)ethyl 1-(3,4-dihydro-2H-quinolin-1-ylc…

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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) 2.88 -1.2 -19.32 0 6 0 81 387.457 5 ↓

Analogs

39565033
39565033
39565034
39565034

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] [(1R)-2-(3,4-dihydro-2H-quinolin…

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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) 2.85 7.83 -17.75 2 6 0 90 352.39 5 ↓

Analogs

39565033
39565033
39565034
39565034

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] [(1S)-2-(3,4-dihydro-2H-quinolin…

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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) 2.85 7.78 -17.86 2 6 0 90 352.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] [2-(3,4-dihydro-2H-quinolin-1-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) 2.49 7.39 -17.9 2 6 0 90 338.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] [(1S)-2-(3,4-dihydro-2H-quinolin…

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) 4.48 9.78 -12.97 1 5 0 67 339.391 4 ↓
Hi High (pH 8-9.5) 4.48 10.79 -55.66 0 5 -1 70 338.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] [(1R)-2-(3,4-dihydro-2H-quinolin…

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) 4.48 9.83 -13.32 1 5 0 67 339.391 4 ↓
Hi High (pH 8-9.5) 4.48 10.82 -55.49 0 5 -1 70 338.383 4 ↓

Parameters Provided:

ring.id = 1602
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 = 1602 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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