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Analogs

52267899
52267899

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Popular Name: 1-[4-(3-fluorophenoxy)phenyl]-3-[2-(2-pyridyl)ethyl]urea 1-[4-(3-fluorophenoxy)phenyl]-3-…

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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) 3.97 7.78 -14.78 2 5 0 63 351.381 6 ↓
Lo Low (pH 4.5-6) 3.97 8.22 -41.77 3 5 1 64 352.389 6 ↓

Analogs

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Popular Name: 3-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-1-methyl-1-[2-(2-pyridyl)ethyl]urea 3-[3-fluoro-4-(2-methoxyphenoxy)…

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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) 3.98 10.07 -21.64 1 6 0 64 395.434 7 ↓
Lo Low (pH 4.5-6) 3.98 10.44 -45.65 2 6 1 65 396.442 7 ↓

Analogs

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Popular Name: 3-[4-(3-cyanophenoxy)phenyl]-1-methyl-1-[2-(2-pyridyl)ethyl]urea 3-[4-(3-cyanophenoxy)phenyl]-1-m…

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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) 3.81 10.55 -18.06 1 6 0 78 372.428 6 ↓
Lo Low (pH 4.5-6) 3.81 10.91 -42.13 2 6 1 79 373.436 6 ↓

Parameters Provided:

ring.id = 160681
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 = 160681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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