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Analogs

3456541
3456541

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Popular Name: 1-[[4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one 1-[[4-(2,4-dimethylphenyl)-5-(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) 5.46 15.68 -12.63 0 4 0 48 401.535 6 ↓

Analogs

20894844
20894844
21602007
21602007
21602009
21602009
3365411
3365411

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Popular Name: (2R)-2-[[4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl (2R)-2-[[4-(2,4-dimethylphenyl)-…

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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) 5.03 14.52 -25.53 2 7 0 89 473.602 6 ↓

Analogs

21602007
21602007
21602009
21602009
3365411
3365411
20894841
20894841

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl (2S)-2-[[4-(2,4-dimethylphenyl)-…

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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) 5.03 14.6 -25.87 2 7 0 89 473.602 6 ↓

Parameters Provided:

ring.id = 76878
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 = 76878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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