UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34868415
34868415

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Popular Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide 2-[4-(4-bromophenyl)sulfonylpipe…

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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) 3.59 5.47 -12.47 1 6 0 70 486.819 6 ↓

Analogs

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Popular Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide 2-[4-(4-chlorophenyl)sulfonylpip…

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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) 2.47 4.13 -15.8 1 8 0 88 467.975 8 ↓

Analogs

35800912
35800912

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Popular Name: N-benzyl-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-benzyl-2-[4-(p-tolylsulfonyl)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) 2.60 5.04 -13.97 1 6 0 70 387.505 6 ↓

Analogs

37227768
37227768
13041135
13041135
13041136
13041136

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide N-[(2-chlorophenyl)methyl]-2-[4-…

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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) 2.92 4.91 -13.33 1 6 0 70 425.913 6 ↓

Analogs

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Popular Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (2R)-2-[4-(3-bromophenyl)sulfony…

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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 6.3 -13.31 1 6 0 70 498.418 6 ↓

Analogs

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Popular Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (2R)-2-[4-(3-bromophenyl)sulfony…

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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 6.29 -13.21 1 6 0 70 498.418 6 ↓

Analogs

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Popular Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide (2S)-2-[4-(3-bromophenyl)sulfony…

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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 6.3 -14.08 1 6 0 70 498.418 6 ↓

Analogs

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Popular Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide (2S)-2-[4-(3-bromophenyl)sulfony…

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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 6.29 -13.88 1 6 0 70 498.418 6 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-[(4-chlorophenyl)methyl]-N-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) 3.02 7.61 -15.26 0 6 0 61 435.977 6 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]acetamide N-[(2-chlorophenyl)methyl]-2-[4-…

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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) 4.32 5.7 -12.3 1 6 0 70 565.715 6 ↓

Analogs

16587141
16587141

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Popular Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide 2-[4-(benzenesulfonyl)piperazin-…

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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) 2.78 4.78 -14.5 1 6 0 70 407.923 6 ↓

Analogs

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Popular Name: (2S)-N-benzyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (2S)-N-benzyl-2-[4-(4-fluorophen…

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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 4.83 -12.06 1 6 0 70 405.495 6 ↓

Analogs

38740996
38740996
38431311
38431311
38431312
38431312

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Popular Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(p-tolylmethyl)propanamide (2R)-2-[4-(benzenesulfonyl)piper…

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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) 2.43 5.44 -12.92 1 6 0 70 401.532 6 ↓

Analogs

38431311
38431311
38431312
38431312

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Popular Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(p-tolylmethyl)propanamide (2S)-2-[4-(benzenesulfonyl)piper…

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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) 2.43 5.44 -13.01 1 6 0 70 401.532 6 ↓

Parameters Provided:

ring.id = 18121
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 = 18121 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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