UCSF
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Analogs

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Popular Name: N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]pyridine-3-carboxamide N-[3-(3-chlorophenyl)-1,2,4-thia…

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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) 2.88 6.44 -9.03 1 5 0 68 316.773 3 ↓

Analogs

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Popular Name: N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-6-methyl-pyridine-3-carboxamide N-[3-(4-methoxyphenyl)-1,2,4-thi…

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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) 2.34 5.84 -9.98 1 6 0 77 326.381 4 ↓

Analogs

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Popular Name: N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-6-methoxy-pyridine-3-carboxamide N-[3-(4-fluorophenyl)-1,2,4-thia…

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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) 2.79 4.5 -8.73 1 6 0 77 330.344 4 ↓

Analogs

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Popular Name: N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-(3-phenyl-1,2,4-thiadiazol-5-y…

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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) 3.55 5.82 -10.94 1 6 0 77 380.351 6 ↓
Hi High (pH 8-9.5) 3.62 4.17 -38.95 0 6 -1 83 379.343 6 ↓

Parameters Provided:

ring.id = 173657
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 = 173657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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