UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19908497
19908497
38342156
38342156

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Popular Name: 5-(azepan-1-yl)-1,3,4-thiadiazole-2-thiol 5-(azepan-1-yl)-1,3,4-thiadiazol…

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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) 2.69 5.94 -43.5 0 3 -1 29 214.339 1 ↓

Analogs

3296791
3296791
8157323
8157323
12976371
12976371

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Popular Name: 2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(azepan-1-yl)-1,3,4-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) 2.14 7.28 -46.14 0 5 -1 69 272.375 4 ↓

Analogs

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Popular Name: 5-[(2R)-2-methylazepan-1-yl]-1,3,4-thiadiazole-2-thiol 5-[(2R)-2-methylazepan-1-yl]-1,3…

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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) 3.02 6.04 -42.48 0 3 -1 29 228.366 1 ↓

Analogs

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Popular Name: 5-[(2S)-2-methylazepan-1-yl]-1,3,4-thiadiazole-2-thiol 5-[(2S)-2-methylazepan-1-yl]-1,3…

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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) 3.02 5.98 -42.54 0 3 -1 29 228.366 1 ↓

Parameters Provided:

ring.id = 5118
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 = 5118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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