UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

473324
473324

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Popular Name: 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea 1-(2,4-difluorophenyl)-3-(4-oxoc…

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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) 1.80 4.87 -9.48 2 4 0 58 268.263 2 ↓

Analogs

16577691
16577691

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Popular Name: 1-(4-chlorophenyl)-3-(4-oxocyclohexyl)urea 1-(4-chlorophenyl)-3-(4-oxocyclo…

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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) 2.22 5.18 -11.35 2 4 0 58 266.728 2 ↓

Analogs

16293081
16293081

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Popular Name: 1-(4-oxocyclohexyl)-3-(p-tolyl)urea 1-(4-oxocyclohexyl)-3-(p-tolyl)urea

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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) 1.99 5.33 -11.57 2 4 0 58 246.31 2 ↓

Analogs

4776596
4776596

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Popular Name: 1-(4-nitrophenyl)-3-(4-oxocyclohexyl)urea 1-(4-nitrophenyl)-3-(4-oxocycloh…

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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) 1.51 5.37 -15.37 2 7 0 104 277.28 3 ↓

Analogs

13560459
13560459

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Popular Name: 1-(3-chlorophenyl)-3-(4-oxocyclohexyl)urea 1-(3-chlorophenyl)-3-(4-oxocyclo…

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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) 2.20 5.22 -12.68 2 4 0 58 266.728 2 ↓

Analogs

16577689
16577689
42515
42515

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Popular Name: 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea 1-(3,4-dichlorophenyl)-3-(4-oxoc…

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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) 2.83 5.66 -12.98 2 4 0 58 301.173 2 ↓

Analogs

16577700
16577700

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Popular Name: 1-(4-oxocyclohexyl)-3-phenyl-urea 1-(4-oxocyclohexyl)-3-phenyl-urea

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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) 1.55 4.66 -11.52 2 4 0 58 232.283 2 ↓

Analogs

6336820
6336820

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Popular Name: 1-(2-fluorophenyl)-3-(4-oxocyclohexyl)urea 1-(2-fluorophenyl)-3-(4-oxocyclo…

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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) 1.66 4.8 -10.35 2 4 0 58 250.273 2 ↓

Analogs

16577694
16577694

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Popular Name: 1-(4-fluorophenyl)-3-(4-oxocyclohexyl)urea 1-(4-fluorophenyl)-3-(4-oxocyclo…

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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) 1.71 4.73 -11.93 2 4 0 58 250.273 2 ↓

Analogs

395293
395293
397180
397180

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Popular Name: 1-(m-tolyl)-3-(4-oxocyclohexyl)urea 1-(m-tolyl)-3-(4-oxocyclohexyl)urea

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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) 1.97 5.33 -11.77 2 4 0 58 246.31 2 ↓

Analogs

46884560
46884560
24688987
24688987
24688991
24688991
396323
396323
6741516
6741516

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Popular Name: 1-(2-methoxyphenyl)-3-(4-oxocyclohexyl)urea 1-(2-methoxyphenyl)-3-(4-oxocycl…

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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) 1.55 4.1 -11.2 2 5 0 67 262.309 3 ↓

Analogs

395455
395455

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Popular Name: 1-(4-methoxyphenyl)-3-(4-oxocyclohexyl)urea 1-(4-methoxyphenyl)-3-(4-oxocycl…

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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) 1.60 3.95 -12.4 2 5 0 67 262.309 3 ↓

Analogs

613189
613189

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Popular Name: 1-(4-cyanophenyl)-3-(4-oxocyclohexyl)urea 1-(4-cyanophenyl)-3-(4-oxocycloh…

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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) 1.30 5.06 -14.24 2 5 0 82 257.293 2 ↓

Analogs

395462
395462

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Popular Name: 3-(2,5-dichlorophenyl)-1-(4-oxocyclohexyl)urea 3-(2,5-dichlorophenyl)-1-(4-oxoc…

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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) 2.83 5.85 -10.04 2 4 0 58 301.173 2 ↓

Analogs

43468132
43468132
28359
28359

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Popular Name: 1-(2-chlorophenyl)-3-(4-oxocyclohexyl)urea 1-(2-chlorophenyl)-3-(4-oxocyclo…

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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) 2.18 5.33 -9.86 2 4 0 58 266.728 2 ↓

Analogs

613172
613172

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Popular Name: 1-(3-cyanophenyl)-3-(4-oxocyclohexyl)urea 1-(3-cyanophenyl)-3-(4-oxocycloh…

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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) 1.28 5.08 -15.96 2 5 0 82 257.293 2 ↓

Analogs

2163936
2163936
24689004
24689004
24689007
24689007

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Popular Name: 1-(3-nitrophenyl)-3-(4-oxocyclohexyl)urea 1-(3-nitrophenyl)-3-(4-oxocycloh…

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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) 1.48 5.4 -19.1 2 7 0 104 277.28 3 ↓

Analogs

182248
182248

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-(4-oxocyclohexyl)urea 1-(3-chloro-4-methyl-phenyl)-3-(…

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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) 2.60 5.8 -12.79 2 4 0 58 280.755 2 ↓

Analogs

36880166
36880166

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Popular Name: 3-(3,4-dichlorophenyl)-1-(2,2,6,6-tetramethyl-4-oxo-cyclohexyl)urea 3-(3,4-dichlorophenyl)-1-(2,2,6,…

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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) 4.61 7.62 -9.92 2 4 0 58 357.281 2 ↓

Analogs

36880161
36880161

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Popular Name: 3-(4-chlorophenyl)-1-(2,2,6,6-tetramethyl-4-oxo-cyclohexyl)urea 3-(4-chlorophenyl)-1-(2,2,6,6-te…

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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) 4.00 7.15 -10.42 2 4 0 58 322.836 2 ↓

Analogs

36880170
36880170

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Popular Name: 3-(4-fluorophenyl)-1-(2,2,6,6-tetramethyl-4-oxo-cyclohexyl)urea 3-(4-fluorophenyl)-1-(2,2,6,6-te…

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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) 3.49 6.7 -10.98 2 4 0 58 306.381 2 ↓

Analogs

36880168
36880168

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Popular Name: 3-phenyl-1-(2,2,6,6-tetramethyl-4-oxo-cyclohexyl)urea 3-phenyl-1-(2,2,6,6-tetramethyl-…

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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) 3.32 6.63 -10.24 2 4 0 58 288.391 2 ↓

Parameters Provided:

ring.id = 123228
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 = 123228 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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