UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19806009
19806009
5298134
5298134

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-butyl-5-[(2E)-2-(3-methylthiazolidin-2-ylidene)ethylidene]-2-thioxo-thiazolidin-4-one (5Z)-3-butyl-5-[(2E)-2-(3-methyl…

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) 2.39 8.81 -14.47 0 3 0 25 314.501 4 ↓

Analogs

31320032
31320032
31320036
31320036
31320040
31320040
5173712
5173712
5851429
5851429

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-ethyl-5-[(2Z)-2-(3-ethylthiazolidin-2-ylidene)-1-methyl-ethylidene]-2-thioxo-thiazolidin-4-on (5Z)-3-ethyl-5-[(2Z)-2-(3-ethylt…

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) 2.15 8.71 -12.97 0 3 0 25 314.501 3 ↓
Lo Low (pH 4.5-6) 2.15 8.01 -37.51 1 3 1 26 315.509 3 ↓

Parameters Provided:

ring.id = 254963
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 = 254963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=254963&filter.purchasability=annotated

Embed Link to Results