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

Analogs

9560687
9560687
9560688
9560688
9560689
9560689

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquin 4-[4-(2-fluorophenyl)piperazin-1…

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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) 3.46 13.12 -11.38 1 7 0 69 526.612 6 ↓

Analogs

9560688
9560688
9560689
9560689
9560686
9560686

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquin 4-[4-(2-fluorophenyl)piperazin-1…

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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) 3.46 13.39 -15.27 1 7 0 69 526.612 6 ↓

Analogs

9560689
9560689
9560687
9560687
9560686
9560686

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquin 4-[4-(2-fluorophenyl)piperazin-1…

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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) 3.46 14.89 -14.68 1 7 0 69 526.612 6 ↓

Analogs

9560687
9560687
9560688
9560688
9560686
9560686

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquin 4-[4-(2-fluorophenyl)piperazin-1…

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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) 3.46 12.95 -17.42 1 7 0 69 526.612 6 ↓

Analogs

9560794
9560794
9560795
9560795
9560796
9560796

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1H-indol-3-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-3,4-dihydroisoquinolin-1-on 3-(1H-indol-3-yl)-4-[4-(4-methox…

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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) 3.42 11.77 -15.01 1 7 0 69 494.595 4 ↓

Analogs

9560795
9560795
9560796
9560796
9560793
9560793

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1H-indol-3-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-3,4-dihydroisoquinolin-1-on 3-(1H-indol-3-yl)-4-[4-(4-methox…

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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) 3.42 12.01 -19.32 1 7 0 69 494.595 4 ↓

Analogs

9560796
9560796
9560793
9560793
9560794
9560794

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1H-indol-3-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-3,4-dihydroisoquinolin-1-on 3-(1H-indol-3-yl)-4-[4-(4-methox…

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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) 3.42 12 -19.3 1 7 0 69 494.595 4 ↓

Analogs

9560793
9560793
9560794
9560794
9560795
9560795

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1H-indol-3-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-methyl-3,4-dihydroisoquinolin-1-on 3-(1H-indol-3-yl)-4-[4-(4-methox…

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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) 3.42 12.05 -21.31 1 7 0 69 494.595 4 ↓

Analogs

9560941
9560941
9560942
9560942
9560943
9560943

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-(4-phenylpiperazin-1-yl)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) 3.41 15.14 -15.57 0 7 0 58 522.649 6 ↓

Analogs

9560942
9560942
9560943
9560943
9560940
9560940

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-(4-phenylpiperazin-1-yl)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) 3.41 14.55 -19.34 0 7 0 58 522.649 6 ↓

Analogs

9560943
9560943
9560941
9560941
9560940
9560940

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-(4-phenylpiperazin-1-yl)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) 3.41 15.36 -19.31 0 7 0 58 522.649 6 ↓

Analogs

9560941
9560941
9560942
9560942
9560940
9560940

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-4-(4-phenylpiperazin-1-yl)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) 3.41 14.49 -18.07 0 7 0 58 522.649 6 ↓

Parameters Provided:

ring.id = 7593
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 = 7593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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