UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(3R)-tetrahydrothioph…

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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) 1.92 5.44 -40.09 0 3 -1 29 232.379 2 ↓

Analogs

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Popular Name: 5-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(3S)-tetrahydrothioph…

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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) 1.92 5.41 -40.07 0 3 -1 29 232.379 2 ↓

Analogs

12976371
12976371

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Popular Name: 2-[[5-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(3R)-tetrahydroth…

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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) 1.37 6.79 -44.3 0 5 -1 69 290.415 5 ↓

Analogs

12976371
12976371

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(3S)-tetrahydroth…

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) 1.37 6.76 -44.39 0 5 -1 69 290.415 5 ↓

Parameters Provided:

ring.id = 5056
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 = 5056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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