UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-5-(benzothiophen-2-yl)-1,2,4-triazole-3-thiol 4-amino-5-(benzothiophen-2-yl)-1…

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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) 2.77 6.7 -42.27 2 4 -1 57 247.328 1 ↓
Mid Mid (pH 6-8) 2.04 6.66 -8.92 3 4 0 60 248.336 1 ↓

Analogs

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Popular Name: 5-(benzothiophen-2-yl)-4H-1,2,4-triazole-3-thiol 5-(benzothiophen-2-yl)-4H-1,2,4-…

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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) 3.31 6.93 -42.99 1 3 -1 42 232.313 1 ↓
Mid Mid (pH 6-8) 3.31 6.99 -22.08 2 3 0 43 233.321 1 ↓

Parameters Provided:

ring.id = 617271
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 = 617271 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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