UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1589514
1589514

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4,5-dimethyl-2-sulfanyl-2-thioxo-1,3-dioxa-2$l^{5}-phosphacyclopentane (4S,5R)-4,5-dimethyl-2-sulfanyl-…

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) 2.28 8.33 -54.74 0 2 -1 18 183.214 0 ↓
Mid Mid (pH 6-8) 2.28 7.55 -18.46 0 2 0 18 184.222 0 ↓

Analogs

42853993
42853993

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R,5R,6R,8R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[3.3.0 [(1R,3R,5R,6R,8R)-8-(6-aminopuri…

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) 0.08 1.5 -30.19 4 10 0 138 345.277 2 ↓

Parameters Provided:

ring.id = 101553
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 = 101553 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=101553&filter.purchasability=annotated

Embed Link to Results