UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-oxo-1-(p-tolyl)cyclohexanecarboxylic 4-oxo-1-(p-tolyl)cyclohexanecarb…

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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) 1.79 8.11 -41.58 0 3 -1 57 231.271 2 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-4-oxo-cyclohexanecarboxylic 1-(4-methoxyphenyl)-4-oxo-cycloh…

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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) 1.39 6.73 -40.9 0 4 -1 66 247.27 3 ↓

Analogs

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Popular Name: 1-(3,4-Dimethoxyphenyl)-4-oxocyclohexanecarboxylic acid 1-(3,4-Dimethoxyphenyl)-4-oxocyc…

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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) 0.98 6.56 -42.93 0 5 -1 76 277.296 4 ↓

Analogs

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Popular Name: 1-(4-CHLOROPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID 1-(4-CHLOROPHENYL)-4-OXOCYCLOHEX…

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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) 2.02 7.95 -38 0 3 -1 57 251.689 2 ↓

Analogs

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Popular Name: 1-(3-CHLOROPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID 1-(3-CHLOROPHENYL)-4-OXOCYCLOHEX…

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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 7.95 -38.07 0 3 -1 57 251.689 2 ↓

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-4-oxocyclohexanecarboxylicacid 1-(3,4-dichlorophenyl)-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) 2.62 8.35 -35.31 0 3 -1 57 286.134 2 ↓

Analogs

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Popular Name: 1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylic acid 1-(4-Fluorophenyl)-4-oxocyclohex…

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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 7.5 -38.01 0 3 -1 57 235.234 2 ↓

Analogs

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Popular Name: 1-(4-BROMOPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID 1-(4-BROMOPHENYL)-4-OXOCYCLOHEXA…

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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) 2.15 8.06 -37.91 0 3 -1 57 296.14 2 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)-4-hydroxy-cyclohexanone 4-(4-chlorophenyl)-4-hydroxy-cyc…

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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) 2.12 4.95 -7.16 1 2 0 37 224.687 1 ↓

Analogs

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Popular Name: 4-(o-tolyl)cyclohexanone 4-(o-tolyl)cyclohexanone

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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) 2.42 7.97 -5.93 0 1 0 17 188.27 1 ↓

Analogs

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Popular Name: 4-(2-Fluorophenyl)cyclohexanone 4-(2-Fluorophenyl)cyclohexanone

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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) 2.14 7.44 -5.78 0 1 0 17 192.233 1 ↓

Analogs

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Popular Name: 4-(3-Fluorophenyl)cyclohexanone 4-(3-Fluorophenyl)cyclohexanone

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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 7.49 -7.83 0 1 0 17 192.233 1 ↓

Analogs

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Popular Name: 4-(4-ethylphenyl)cyclohexanone 4-(4-ethylphenyl)cyclohexanone

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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 8.86 -5.65 0 1 0 17 202.297 2 ↓

Analogs

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Popular Name: 4-(2-methoxyphenyl)cyclohexanone 4-(2-methoxyphenyl)cyclohexanone

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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) 2.03 6.81 -6.09 0 2 0 26 204.269 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)cyclohexanone 4-(2-chlorophenyl)cyclohexanone

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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) 2.65 7.85 -5.28 0 1 0 17 208.688 1 ↓

Analogs

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Popular Name: 4-(4-isopropylphenyl)cyclohexanone 4-(4-isopropylphenyl)cyclohexanone

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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) 4.01 9.35 -5.49 0 1 0 17 216.324 2 ↓

Analogs

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Popular Name: 4-(4-dimethylaminophenyl)cyclohexanone 4-(4-dimethylaminophenyl)cyclohe…

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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 7.83 -6.74 0 2 0 20 217.312 2 ↓
Lo Low (pH 4.5-6) 2.60 8.59 -16.88 1 2 0 22 218.32 2 ↓

Analogs

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Popular Name: 4-(3,4-dimethoxyphenyl)cyclohexanone 4-(3,4-dimethoxyphenyl)cyclohexa…

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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) 2.14 6.62 -10.06 0 3 0 36 234.295 3 ↓

Analogs

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Popular Name: (2R,4R)-2-(3-methylsulfonylpropyl)-4-phenyl-cyclohexanone (2R,4R)-2-(3-methylsulfonylpropy…

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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) 2.54 7.12 -16.64 0 3 0 51 294.416 5 ↓

Analogs

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Popular Name: (2S,4R)-2-(3-methylsulfonylpropyl)-4-phenyl-cyclohexanone (2S,4R)-2-(3-methylsulfonylpropy…

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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) 2.54 6.91 -20 0 3 0 51 294.416 5 ↓

Analogs

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Popular Name: (2R,4S)-2-(3-methylsulfonylpropyl)-4-phenyl-cyclohexanone (2R,4S)-2-(3-methylsulfonylpropy…

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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) 2.54 6.91 -20 0 3 0 51 294.416 5 ↓

Analogs

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Popular Name: (2S,4S)-2-(3-methylsulfonylpropyl)-4-phenyl-cyclohexanone (2S,4S)-2-(3-methylsulfonylpropy…

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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) 2.54 7.12 -16.63 0 3 0 51 294.416 5 ↓

Analogs

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Popular Name: 4-(hydroxymethyl)-4-phenylcyclohexan-1-one 4-(hydroxymethyl)-4-phenylcycloh…

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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) 1.46 4.57 -7.07 1 2 0 37 204.269 2 ↓

Analogs

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Popular Name: 4-(3-methoxyphenyl)cyclohexanone 4-(3-methoxyphenyl)cyclohexanone

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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) 2.53 6.71 -6.98 0 2 0 26 204.269 2 ↓

Parameters Provided:

ring.id = 19535
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 = 19535 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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