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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-bromo-N-cyclooctyl-4-fluoro-benzamide 2-bromo-N-cyclooctyl-4-fluoro-be…

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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) 4.95 7.8 -9.39 1 2 0 29 328.225 2 ↓

Analogs

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Popular Name: N-cyclooctyl-2-hydroxy-4-methoxy-benzamide N-cyclooctyl-2-hydroxy-4-methoxy…

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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) 4.57 4.96 -14.91 2 4 0 59 277.364 3 ↓
Hi High (pH 8-9.5) 4.57 5.98 -62.22 1 4 -1 61 276.356 3 ↓

Analogs

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Popular Name: 2-chloro-N-cyclooctyl-5-(isopropylsulfamoyl)benzamide 2-chloro-N-cyclooctyl-5-(isoprop…

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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) 4.39 5.22 -11.52 2 5 0 75 386.945 5 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-cyclooctyl-benzamide 3-(2-aminoethyl)-N-cyclooctyl-be…

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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) 3.01 5.93 -48.29 4 3 1 57 275.416 4 ↓

Analogs

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Popular Name: N-cyclooctyl-3-fluoro-4-nitro-benzamide N-cyclooctyl-3-fluoro-4-nitro-be…

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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) 4.10 7.86 -9.01 1 5 0 75 294.326 3 ↓

Analogs

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Popular Name: N-cyclooctyl-3-(diethylsulfamoyl)-4-fluoro-benzamide N-cyclooctyl-3-(diethylsulfamoyl…

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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) 4.20 6.84 -18.92 1 5 0 66 384.517 6 ↓

Analogs

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Popular Name: N-(1-cyanocyclooctyl)-5-fluoro-2-methyl-benzamide N-(1-cyanocyclooctyl)-5-fluoro-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) 4.44 7.8 -11.43 1 3 0 53 288.366 2 ↓

Analogs

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Popular Name: N-cyclooctyl-N-methyl-3-methylsulfonyl-benzamide N-cyclooctyl-N-methyl-3-methylsu…

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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) 2.67 6.16 -17.06 0 4 0 54 323.458 3 ↓

Analogs

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Popular Name: 4-amino-N-cyclooctyl-3,5-difluoro-benzamide 4-amino-N-cyclooctyl-3,5-difluor…

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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) 3.71 5.23 -7.56 3 3 0 55 282.334 2 ↓

Analogs

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Popular Name: N-cyclooctyl-3,5-difluoro-4-(methylamino)benzamide N-cyclooctyl-3,5-difluoro-4-(met…

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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) 4.09 6.04 -7.55 2 3 0 41 296.361 3 ↓

Analogs

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Popular Name: N-cyclooctyl-3,5-difluoro-4-hydrazino-benzamide N-cyclooctyl-3,5-difluoro-4-hydr…

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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) 3.47 5.05 -8.36 4 4 0 67 297.349 3 ↓

Analogs

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Popular Name: N-cyclooctyl-3,4,5-trifluoro-benzamide N-cyclooctyl-3,4,5-trifluoro-ben…

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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) 4.39 7.34 -7.43 1 2 0 29 285.309 2 ↓

Analogs

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Popular Name: N-cyclooctyl-3-(methanesulfonamido)-N-methyl-benzamide N-cyclooctyl-3-(methanesulfonami…

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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) 3.03 5.41 -46.74 0 5 -1 69 337.465 4 ↓
Lo Low (pH 4.5-6) 3.03 5.37 -13.38 1 5 0 66 338.473 4 ↓

Analogs

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Popular Name: N-cyclooctyl-2-hydroxy-5-(methanesulfonamido)benzamide N-cyclooctyl-2-hydroxy-5-(methan…

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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) 3.74 2.42 -41.14 2 6 -1 98 339.437 4 ↓
Mid Mid (pH 6-8) 3.74 2.26 -16.52 3 6 0 95 340.445 4 ↓

Analogs

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Popular Name: N-cyclooctyl-4-[(R)-methylsulfinyl]benzamide N-cyclooctyl-4-[(R)-methylsulfin…

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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) 2.89 5.76 -22 1 3 0 46 293.432 3 ↓

Analogs

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Popular Name: N-cyclooctyl-4-[(S)-methylsulfinyl]benzamide N-cyclooctyl-4-[(S)-methylsulfin…

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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) 2.89 5.76 -15.75 1 3 0 46 293.432 3 ↓

Analogs

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Popular Name: 2-chloro-N-cyclooctyl-5-ethylsulfonyl-benzamide 2-chloro-N-cyclooctyl-5-ethylsul…

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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) 3.90 6.05 -13.84 1 4 0 63 357.903 4 ↓

Analogs

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Popular Name: 2-chloro-N-cyclooctyl-5-ethylsulfonyl-N-methyl-benzamide 2-chloro-N-cyclooctyl-5-ethylsul…

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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) 3.67 7.56 -16.06 0 4 0 54 371.93 4 ↓

Analogs

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Popular Name: N-cyclooctyl-4-fluoro-3-nitro-benzamide N-cyclooctyl-4-fluoro-3-nitro-be…

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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) 4.10 7.85 -14.65 1 5 0 75 294.326 3 ↓

Analogs

42161287
42161287
42161289
42161289
42187868
42187868

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Popular Name: N-cyclooctyl-2-fluoro-5-nitro-benzamide N-cyclooctyl-2-fluoro-5-nitro-be…

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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) 4.10 7.9 -9.21 1 5 0 75 294.326 3 ↓

Analogs

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Popular Name: 4-chloro-N-cyclooctyl-2-methoxy-benzamide 4-chloro-N-cyclooctyl-2-methoxy-…

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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) 5.26 8.19 -9.66 1 3 0 38 295.81 3 ↓

Parameters Provided:

ring.id = 36857
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 = 36857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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