UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13127631
13127631
13127634
13127634
13127637
13127637

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Popular Name: [2-[2-(2,4-dioxothiazolidin-3-yl)ethylamino]-2-oxo-ethyl] [2-[2-(2,4-dioxothiazolidin-3-yl…

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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) 0.38 5.58 -20.96 2 11 0 142 468.532 8 ↓

Analogs

13127634
13127634
13127637
13127637
13127628
13127628

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(2,4-dioxothiazolidin-3-yl)ethylamino]-2-oxo-ethyl] [2-[2-(2,4-dioxothiazolidin-3-yl…

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) 0.38 6.29 -19.95 2 11 0 142 468.532 8 ↓

Analogs

13127637
13127637
13127628
13127628
13127631
13127631

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(2,4-dioxothiazolidin-3-yl)ethylamino]-2-oxo-ethyl] [2-[2-(2,4-dioxothiazolidin-3-yl…

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) 0.38 6.29 -20.03 2 11 0 142 468.532 8 ↓

Analogs

13127628
13127628
13127631
13127631
13127634
13127634

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(2,4-dioxothiazolidin-3-yl)ethylamino]-2-oxo-ethyl] [2-[2-(2,4-dioxothiazolidin-3-yl…

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) 0.38 5.57 -20.63 2 11 0 142 468.532 8 ↓

Parameters Provided:

ring.id = 114824
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 = 114824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=114824&filter.purchasability=annotated

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