UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7149852
7149852
26047382
26047382
26047386
26047386
27333349
27333349
27333352
27333352

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-2,3,4-triazabicyclo[4.4.0]deca-2,7,9,11-tetraen-4-y N-cyclopropyl-N-(1,1-dioxothiola…

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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) 0.15 3.21 -23.7 0 8 0 102 362.411 4 ↓

Analogs

26047382
26047382
26047386
26047386
27333349
27333349
27333352
27333352
27333355
27333355

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-2,3,4-triazabicyclo[4.4.0]deca-2,7,9,11-tetraen-4-y N-cyclopropyl-N-(1,1-dioxothiola…

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) 0.15 3.2 -24.56 0 8 0 102 362.411 4 ↓

Parameters Provided:

ring.id = 4968
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 = 4968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4968&filter.purchasability=annotated

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