UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12855375
12855375
12855382
12855382

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzamid N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.71 6 -16.8 1 7 0 89 421.544 4 ↓

Analogs

12855382
12855382
12855365
12855365

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzamid N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.71 6.13 -22.97 1 7 0 89 421.544 4 ↓

Analogs

6342569
6342569
12855365
12855365
12855375
12855375

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzamid N-(5,6-dihydro-4H-cyclopenta[d]t…

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) 2.71 5.92 -17.05 1 7 0 89 421.544 4 ↓

Parameters Provided:

ring.id = 108134
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 = 108134 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=108134&filter.purchasability=annotated

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