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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9560683
9560683
9560684
9560684
9560685
9560685

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.77 11.7 -13.74 1 8 0 92 503.599 8 ↓

Analogs

9560684
9560684
9560685
9560685
9560682
9560682

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Popular Name: ethyl ethyl

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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) 2.77 12.21 -18.29 1 8 0 92 503.599 8 ↓

Analogs

9560685
9560685
9560682
9560682
9560683
9560683

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.77 12.31 -17.98 1 8 0 92 503.599 8 ↓

Analogs

9560682
9560682
9560683
9560683
9560684
9560684

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.77 12.05 -20.42 1 8 0 92 503.599 8 ↓

Analogs

9560929
9560929
9560930
9560930
9560931
9560931
9561046
9561046
9561047
9561047

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Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(2-methyl-1-piperidyl)carbonyl]-3,4-dihydroisoquinolin- 2-(2-methoxyethyl)-3-(1-methylin…

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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) 3.06 12.82 -10.5 0 6 0 55 459.59 5 ↓

Analogs

9560930
9560930
9560931
9560931
9560860
9560860
9560861
9560861
9560862
9560862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(2-methyl-1-piperidyl)carbonyl]-3,4-dihydroisoquinolin- 2-(2-methoxyethyl)-3-(1-methylin…

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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) 3.06 12.32 -10.33 0 6 0 55 459.59 5 ↓

Analogs

9560931
9560931
9560860
9560860
9560861
9560861
9560862
9560862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(2-methyl-1-piperidyl)carbonyl]-3,4-dihydroisoquinolin- 2-(2-methoxyethyl)-3-(1-methylin…

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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) 3.06 14.44 -12.23 0 6 0 55 459.59 5 ↓

Analogs

9560860
9560860
9560861
9560861
9560862
9560862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(2-methyl-1-piperidyl)carbonyl]-3,4-dihydroisoquinolin- 2-(2-methoxyethyl)-3-(1-methylin…

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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) 3.06 12.71 -13.97 0 6 0 55 459.59 5 ↓

Analogs

9560933
9560933
9560934
9560934
9560935
9560935
9560952
9560952
9560953
9560953

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(4-methyl-1-piperidyl)carbonyl]-3,4-dihydroisoquinolin- 2-(2-methoxyethyl)-3-(1-methylin…

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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 12.45 -11.18 0 6 0 55 459.59 5 ↓

Analogs

9560934
9560934
9560935
9560935
9560952
9560952
9560953
9560953
9560954
9560954

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(4-methyl-1-piperidyl)carbonyl]-3,4-dihydroisoquinolin- 2-(2-methoxyethyl)-3-(1-methylin…

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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 14.41 -13.87 0 6 0 55 459.59 5 ↓

Analogs

9560935
9560935
9560952
9560952
9560953
9560953
9560954
9560954
9560955
9560955

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(4-methyl-1-piperidyl)carbonyl]-3,4-dihydroisoquinolin- 2-(2-methoxyethyl)-3-(1-methylin…

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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 13.12 -15.02 0 6 0 55 459.59 5 ↓

Analogs

9560952
9560952
9560953
9560953
9560954
9560954
9560955
9560955
34864853
34864853

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-[(4-methyl-1-piperidyl)carbonyl]-3,4-dihydroisoquinolin- 2-(2-methoxyethyl)-3-(1-methylin…

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) 2.97 12.83 -17.2 0 6 0 55 459.59 5 ↓

Parameters Provided:

ring.id = 7591
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 = 7591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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