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Analogs

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Popular Name: 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-4-carboxylic 2-[2-(2-oxoimidazolidin-1-yl)eth…

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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) 0.69 4.02 -53.39 1 6 -1 85 266.302 5 ↓

Analogs

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Popular Name: 1-[2-[(3-amino-2-pyridyl)sulfanyl]ethyl]imidazolidin-2-one 1-[2-[(3-amino-2-pyridyl)sulfany…

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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) 0.27 1.41 -14.26 3 5 0 71 238.316 4 ↓
Lo Low (pH 4.5-6) 0.27 1.81 -35.66 4 5 1 72 239.324 4 ↓

Analogs

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Popular Name: 1-[2-[(5-amino-2-pyridyl)sulfanyl]ethyl]imidazolidin-2-one 1-[2-[(5-amino-2-pyridyl)sulfany…

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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) 0.48 1.34 -14.29 3 5 0 71 238.316 4 ↓
Lo Low (pH 4.5-6) 0.48 1.74 -34.8 4 5 1 72 239.324 4 ↓

Analogs

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Popular Name: 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic 6-[2-(2-oxoimidazolidin-1-yl)eth…

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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) 0.41 4.01 -53.33 1 6 -1 85 266.302 5 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic 4,6-dimethyl-2-[2-(2-oxoimidazol…

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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) 1.17 5.28 -62.56 1 6 -1 85 294.356 5 ↓
Lo Low (pH 4.5-6) 1.17 5.64 -52.13 2 6 0 87 295.364 5 ↓

Parameters Provided:

ring.id = 519743
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 = 519743 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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