UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-[[(3R)-1,1-dioxothiolan-3-y…

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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) -2.54 -5.73 -23.41 4 10 0 154 303.3 4 ↓
Mid Mid (pH 6-8) -2.08 -8.28 -64.38 3 10 -1 157 302.292 4 ↓
Lo Low (pH 4.5-6) -2.08 -7.19 -36.69 4 10 0 158 303.3 4 ↓

Analogs

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Popular Name: N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-[[(3S)-1,1-dioxothiolan-3-y…

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) -2.54 -5.7 -22.61 4 10 0 154 303.3 4 ↓
Mid Mid (pH 6-8) -2.08 -8.25 -63.08 3 10 -1 157 302.292 4 ↓
Lo Low (pH 4.5-6) -2.08 -7.16 -35.98 4 10 0 158 303.3 4 ↓

Parameters Provided:

ring.id = 554280
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 = 554280 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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