UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13128368
13128368
13128369
13128369

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Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-methoxy-pheny…

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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) 4.64 11.83 -15.62 0 7 0 74 520.076 6 ↓

Analogs

13128369
13128369
13128367
13128367

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-methoxy-pheny…

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) 4.64 11.8 -15.4 0 7 0 74 520.076 6 ↓

Analogs

13128367
13128367
13128368
13128368

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-methoxy-pheny…

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) 4.64 11.65 -15.5 0 7 0 74 520.076 6 ↓

Parameters Provided:

ring.id = 115735
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 = 115735 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=115735&filter.purchasability=annotated

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