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

Analogs

11998226
11998226
12036423
12036423
12036426
12036426

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-N-[[2-[(3R)-3-(hydroxymethyl)-1-piperidyl]-7-methoxy-3-quinolyl]methyl]p N-[2-(4-fluorophenyl)ethyl]-N-[[…

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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) 4.46 -1.5 -40.09 2 6 1 67 480.604 9 ↓

Analogs

12036423
12036423
12036426
12036426
11998223
11998223

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]-N-[[2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-7-methoxy-3-quinolyl]methyl]p N-[2-(4-fluorophenyl)ethyl]-N-[[…

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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) 4.46 -1.5 -37.83 2 6 1 67 480.604 9 ↓

Analogs

12036426
12036426
11998223
11998223
11998226
11998226

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]-N-[[2-[(3R)-3-(hydroxymethyl)-1-piperidyl]-7-methoxy-3-quinolyl]methyl]- N-[2-(4-fluorophenyl)ethyl]-N-[[…

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) 4.70 -0.11 -44.97 2 6 1 67 494.631 9 ↓

Analogs

11998223
11998223
11998226
11998226

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]-N-[[2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-7-methoxy-3-quinolyl]methyl]- N-[2-(4-fluorophenyl)ethyl]-N-[[…

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) 4.70 -0.78 -38.96 2 6 1 67 494.631 9 ↓

Analogs

12037506
12037506
12121927
12121927
12121936
12121936

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]-N-[[2-[(3R)-3-hydroxy-1-piperidyl]-8-methyl-3-quinolyl]methyl]acetamide N-[2-(4-fluorophenyl)ethyl]-N-[[…

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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) 3.61 -1.11 -15.6 1 5 0 57 435.543 6 ↓

Analogs

12121927
12121927
12121936
12121936
12037503
12037503

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]-N-[[2-[(3S)-3-hydroxy-1-piperidyl]-8-methyl-3-quinolyl]methyl]acetamide N-[2-(4-fluorophenyl)ethyl]-N-[[…

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) 3.61 -1.35 -12.69 1 5 0 57 435.543 6 ↓

Parameters Provided:

ring.id = 68841
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 = 68841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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