UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2S)-2-(diethylamino)-2-(2-furyl)ethyl]thiadiazole-5-carboxamide N-[(2S)-2-(diethylamino)-2-(2-fu…

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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) 1.58 5.12 -43.1 2 6 1 72 295.388 7 ↓
Hi High (pH 8-9.5) 1.65 2.74 -24.07 1 6 0 79 294.38 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(diethylamino)-2-(2-furyl)ethyl]thiadiazole-5-carboxamide N-[(2R)-2-(diethylamino)-2-(2-fu…

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) 1.58 4.99 -42.67 2 6 1 72 295.388 7 ↓
Hi High (pH 8-9.5) 1.65 3.67 -29.39 1 6 0 79 294.38 7 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-(5-methyl-2-furyl)ethyl]-4-methyl-thiadiazole-5-carboxamide N-[(2R)-2-hydroxy-2-(5-methyl-2-…

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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) 0.48 0.28 -8.99 2 6 0 88 267.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-hydroxy-2-(5-methyl-2-furyl)ethyl]-4-methyl-thiadiazole-5-carboxamide N-[(2S)-2-hydroxy-2-(5-methyl-2-…

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) 0.48 0.49 -8.89 2 6 0 88 267.31 4 ↓

Parameters Provided:

ring.id = 558529
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 = 558529 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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