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Analogs

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Popular Name: 4-bromo-2-[(2S,4S)-6-(4-ethylphenyl)-2-(3-pyridyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4S)-6-(4-ethylphe…

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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) 4.41 7.96 -7.64 2 4 0 58 436.353 4 ↓
Hi High (pH 8-9.5) 4.41 8.7 -42.56 1 4 -1 60 435.345 4 ↓

Analogs

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Popular Name: 4-bromo-2-[(2R,4R)-6-(4-ethylphenyl)-2-(3-pyridyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4R)-6-(4-ethylphe…

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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) 4.41 7.84 -5.75 2 4 0 58 436.353 4 ↓
Hi High (pH 8-9.5) 4.41 8.6 -42.58 1 4 -1 60 435.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4S)-6-(4-ethylphenyl)-2-(3-pyridyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4S)-6-(4-ethylphe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.41 8.13 -7.62 2 4 0 58 436.353 4 ↓
Hi High (pH 8-9.5) 4.41 8.87 -39.97 1 4 -1 60 435.345 4 ↓

Parameters Provided:

ring.id = 52185
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 = 52185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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