UCSF
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Analogs

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Popular Name: N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]thiophene-2-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) 4.02 7.2 -7.85 1 4 0 55 321.814 3 ↓
Mid Mid (pH 6-8) 4.08 5.58 -41.83 0 4 -1 61 320.806 3 ↓

Analogs

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Popular Name: 5-bromo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide 5-bromo-N-(3-phenyl-1,2,4-thiadi…

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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) 4.30 7.41 -7.23 1 4 0 55 366.265 3 ↓
Mid Mid (pH 6-8) 4.36 5.8 -39.51 0 4 -1 61 365.257 3 ↓

Analogs

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Popular Name: 5-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide 5-methyl-N-(3-phenyl-1,2,4-thiad…

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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) 3.58 7.5 -8.61 1 4 0 55 301.396 3 ↓
Mid Mid (pH 6-8) 3.65 5.88 -45.05 0 4 -1 61 300.388 3 ↓

Parameters Provided:

ring.id = 464257
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 = 464257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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