UCSF
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Analogs

5622197
5622197

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Popular Name: N-(4-bromo-2-methyl-phenyl)-2-[2-[(1-oxido-2-pyridyl)sulfanyl]acetyl]amino-acetamide N-(4-bromo-2-methyl-phenyl)-2-[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) 1.68 -3.1 -31.84 2 6 0 83 410.293 6 ↓

Analogs

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Popular Name: 2-[methyl-[2-[(1-oxido-2-pyridyl)sulfanyl]acetyl]-amino]-N-(p-tolyl)acetamide 2-[methyl-[2-[(1-oxido-2-pyridyl…

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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) 1.19 -0.2 -39.16 1 6 0 74 345.424 6 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[methyl-[2-[(1-oxido-2-pyridyl)sulfanyl]acetyl]-amino]-acetamide N-(2-chlorophenyl)-2-[methyl-[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) 1.37 -0.51 -37.7 1 6 0 74 365.842 6 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[methyl-[2-[(1-oxido-2-pyridyl)sulfanyl]acetyl]-amino]-acetamide N-(4-fluorophenyl)-2-[methyl-[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) 0.91 0.21 -39.2 1 6 0 74 349.387 6 ↓

Analogs

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Popular Name: 2-[(1-oxido-2-pyridyl)sulfanyl]-N-[(2,3,4-trifluorophenyl)carbamoylmethyl]acetamide 2-[(1-oxido-2-pyridyl)sulfanyl]-…

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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) 0.85 -0.66 -32.91 2 6 0 83 371.34 6 ↓

Parameters Provided:

ring.id = 2570
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 = 2570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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