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Analogs

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Popular Name: 1-benzylsulfonyl-4-[(3,4-dichlorophenyl)methyl]piperazine 1-benzylsulfonyl-4-[(3,4-dichlor…

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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) 3.89 7.35 -13.55 0 4 0 41 399.343 5 ↓
Lo Low (pH 4.5-6) 3.89 9.56 -62.68 1 4 1 42 400.351 5 ↓

Analogs

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Popular Name: 1-benzylsulfonyl-4-(o-tolylmethyl)piperazine 1-benzylsulfonyl-4-(o-tolylmethy…

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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) 3.00 7.45 -10.93 0 4 0 41 344.48 5 ↓

Analogs

16579366
16579366

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Popular Name: 1-benzylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine 1-benzylsulfonyl-4-[(4-fluorophe…

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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) 2.77 6.45 -12.85 0 4 0 41 348.443 5 ↓
Mid Mid (pH 6-8) 2.77 8.66 -59.94 1 4 1 42 349.451 5 ↓

Analogs

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Popular Name: 1-benzylsulfonyl-4-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]piperazine 1-benzylsulfonyl-4-[[4-(difluoro…

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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) 2.81 5.75 -16.9 0 6 0 59 426.485 8 ↓

Analogs

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Popular Name: 1-[(3-fluorophenyl)methylsulfonyl]-4-[(2-methoxyphenyl)methyl]piperazine 1-[(3-fluorophenyl)methylsulfony…

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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) 2.75 5.83 -13.49 0 5 0 50 378.469 6 ↓
Lo Low (pH 4.5-6) 2.75 8.07 -52.09 1 5 1 51 379.477 6 ↓

Analogs

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Popular Name: 1-benzyl-4-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperazine 1-benzyl-4-[(2-chloro-6-fluoro-p…

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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) 3.35 6.93 -11.25 0 4 0 41 382.888 5 ↓

Analogs

21812154
21812154

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Popular Name: 1-benzyl-4-(o-tolylmethylsulfonyl)piperazine 1-benzyl-4-(o-tolylmethylsulfony…

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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) 3.00 7.13 -11.24 0 4 0 41 344.48 5 ↓

Analogs

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Popular Name: 1-benzyl-4-[(2-fluorophenyl)methylsulfonyl]piperazine 1-benzyl-4-[(2-fluorophenyl)meth…

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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) 2.72 6.47 -12.29 0 4 0 41 348.443 5 ↓

Analogs

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Popular Name: 1-benzyl-4-[(3-chlorophenyl)methylsulfonyl]piperazine 1-benzyl-4-[(3-chlorophenyl)meth…

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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) 3.26 6.75 -11.47 0 4 0 41 364.898 5 ↓

Analogs

14240197
14240197

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Popular Name: 1-benzyl-4-[(4-fluorophenyl)methylsulfonyl]piperazine 1-benzyl-4-[(4-fluorophenyl)meth…

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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) 2.77 6.31 -11.83 0 4 0 41 348.443 5 ↓

Analogs

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Popular Name: 1-benzyl-4-(m-tolylmethylsulfonyl)piperazine 1-benzyl-4-(m-tolylmethylsulfony…

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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 6.91 -11.22 0 4 0 41 344.48 5 ↓

Analogs

19853577
19853577
21811316
21811316
14159481
14159481

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Popular Name: 1-benzyl-4-(p-tolylmethylsulfonyl)piperazine 1-benzyl-4-(p-tolylmethylsulfony…

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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) 3.05 6.92 -11.23 0 4 0 41 344.48 5 ↓

Parameters Provided:

ring.id = 165874
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 = 165874 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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