UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37802567
37802567

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Popular Name: N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-2-phenyl-acetamide N-[2-(4-methylsulfonylpiperazin-…

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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) -0.16 2.39 -18.96 1 7 0 87 339.417 5 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(4-methylsulfonylpiperazine-1-carbonyl)propyl]-2-phenyl-acetamide N-[(1S)-2-methyl-1-(4-methylsulf…

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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) 0.95 4.09 -15.91 1 7 0 87 381.498 6 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(4-methylsulfonylpiperazine-1-carbonyl)propyl]-2-phenyl-acetamide N-[(1R)-2-methyl-1-(4-methylsulf…

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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) 0.95 4.17 -15.16 1 7 0 87 381.498 6 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-yl-ethyl)acetamide 2-(3-chlorophenyl)-N-methyl-N-(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) 0.77 6.35 -56.3 2 5 1 57 310.805 4 ↓
Mid Mid (pH 6-8) 0.77 5.05 -15.76 1 5 0 53 309.797 4 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-N-(2-oxo-2-piperazin-1-yl-ethyl)acetamide 2-(3-chlorophenyl)-N-(2-oxo-2-pi…

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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) 0.52 3.99 -51.93 3 5 1 66 296.778 4 ↓
Mid Mid (pH 6-8) 0.52 2.7 -9.98 2 5 0 61 295.77 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-acetylpiperazine-1-carbonyl)-2-methyl-propyl]-2-phenyl-acetamide N-[(1S)-1-(4-acetylpiperazine-1-…

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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) 0.94 6.49 -13.6 1 6 0 70 345.443 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-acetylpiperazine-1-carbonyl)-2-methyl-propyl]-2-phenyl-acetamide N-[(1R)-1-(4-acetylpiperazine-1-…

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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) 0.94 6.57 -13.64 1 6 0 70 345.443 5 ↓

Parameters Provided:

ring.id = 13131
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 = 13131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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