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

Analogs

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Popular Name: 3-(4-cyanophenyl)-1-methyl-1-[2-(4-pyridyl)ethyl]urea 3-(4-cyanophenyl)-1-methyl-1-[2-…

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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) 1.96 7.67 -14.19 1 5 0 69 280.331 4 ↓
Lo Low (pH 4.5-6) 1.96 8.12 -42.27 2 5 1 70 281.339 4 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-1-methyl-1-[2-(4-pyridyl)ethyl]urea 3-(3-fluorophenyl)-1-methyl-1-[2…

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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) 2.35 7.34 -14.46 1 4 0 45 273.311 4 ↓
Lo Low (pH 4.5-6) 2.35 7.8 -40.81 2 4 1 46 274.319 4 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-[2-(4-pyridyl)ethyl]urea 1-(4-ethoxyphenyl)-3-[2-(4-pyrid…

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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) 2.39 5.08 -14.13 2 5 0 63 285.347 6 ↓
Lo Low (pH 4.5-6) 2.39 5.36 -41.62 3 5 1 64 286.355 6 ↓

Analogs

48473654
48473654
49516667
49516667
3086097
3086097
41639226
41639226
1067699
1067699

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Popular Name: 1-(3-acetylphenyl)-3-[2-(4-pyridyl)ethyl]urea 1-(3-acetylphenyl)-3-[2-(4-pyrid…

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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) 1.84 5.35 -21.76 2 5 0 71 283.331 5 ↓
Lo Low (pH 4.5-6) 1.84 5.81 -47.19 3 5 1 72 284.339 5 ↓

Analogs

1067699
1067699

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Popular Name: 1-(4-acetylphenyl)-3-[2-(4-pyridyl)ethyl]urea 1-(4-acetylphenyl)-3-[2-(4-pyrid…

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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) 1.86 5.27 -15.26 2 5 0 71 283.331 5 ↓
Lo Low (pH 4.5-6) 1.86 5.81 -44.61 3 5 1 72 284.339 5 ↓

Analogs

49516667
49516667

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Popular Name: 1-[3-[(1S)-1-hydroxyethyl]phenyl]-3-[2-(4-pyridyl)ethyl]urea 1-[3-[(1S)-1-hydroxyethyl]phenyl…

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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) 1.50 3.03 -14.08 3 5 0 74 285.347 5 ↓
Lo Low (pH 4.5-6) 1.50 3.49 -42.12 4 5 1 75 286.355 5 ↓

Analogs

49516667
49516667

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Popular Name: 1-[3-[(1R)-1-hydroxyethyl]phenyl]-3-[2-(4-pyridyl)ethyl]urea 1-[3-[(1R)-1-hydroxyethyl]phenyl…

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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) 1.50 3.02 -14.61 3 5 0 74 285.347 5 ↓
Lo Low (pH 4.5-6) 1.50 3.48 -42.56 4 5 1 75 286.355 5 ↓

Analogs

48470405
48470405
1067699
1067699
617164
617164

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Popular Name: 1-[4-[(1S)-1-hydroxyethyl]phenyl]-3-[2-(4-pyridyl)ethyl]urea 1-[4-[(1S)-1-hydroxyethyl]phenyl…

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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) 1.52 3.05 -15.84 3 5 0 74 285.347 5 ↓
Lo Low (pH 4.5-6) 1.52 3.51 -42.9 4 5 1 75 286.355 5 ↓

Analogs

48470405
48470405
1067699
1067699
617164
617164

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1R)-1-hydroxyethyl]phenyl]-3-[2-(4-pyridyl)ethyl]urea 1-[4-[(1R)-1-hydroxyethyl]phenyl…

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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) 1.52 3.01 -15.53 3 5 0 74 285.347 5 ↓
Lo Low (pH 4.5-6) 1.52 3.47 -42.7 4 5 1 75 286.355 5 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-methyl-1-[2-(4-pyridyl)ethyl]urea 3-(2-chlorophenyl)-1-methyl-1-[2…

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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) 2.84 7.9 -10.21 1 4 0 45 289.766 4 ↓
Lo Low (pH 4.5-6) 2.84 8.36 -37.65 2 4 1 46 290.774 4 ↓

Analogs

41703447
41703447
41707210
41707210
41707213
41707213
41717269
41717269
41717274
41717274

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Popular Name: 1-methyl-3-(m-tolyl)-1-[2-(4-pyridyl)ethyl]urea 1-methyl-3-(m-tolyl)-1-[2-(4-pyr…

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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) 2.63 7.93 -12.32 1 4 0 45 269.348 4 ↓
Lo Low (pH 4.5-6) 2.63 8.39 -39.19 2 4 1 46 270.356 4 ↓

Parameters Provided:

ring.id = 180397
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 = 180397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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