UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one 3-(2-cyclopropyl-2-oxo-ethyl)sul…

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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) 0.44 5.07 -10.14 1 5 0 68 227.289 5 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one 3-(2-cyclopropyl-2-oxo-ethyl)sul…

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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) 0.06 4.12 -10.31 1 5 0 68 213.262 4 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)sulfanyl-4-isopropyl-1H-1,2,4-triazol-5-one 3-(2-cyclopropyl-2-oxo-ethyl)sul…

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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) 0.80 5.53 -9.85 1 5 0 68 241.316 5 ↓

Parameters Provided:

ring.id = 242940
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 = 242940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=242940&filter.purchasability=annotated

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