UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36640968
36640968
16510033
16510033
16510036
16510036

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Popular Name: N'-[2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]-3,4-dimethoxy-benzohydrazide N'-[2-[(4S)-2,5-dioxospiro[imida…

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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) 0.64 4.49 -18.15 3 10 0 126 438.44 6 ↓

Analogs

16510033
16510033
16510036
16510036
36640966
36640966

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]-3,4-dimethoxy-benzohydrazide N'-[2-[(4R)-2,5-dioxospiro[imida…

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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) 0.64 4.48 -19.72 3 10 0 126 438.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]-2-hydroxy-benzohydrazide N'-[2-[(4S)-2,5-dioxospiro[imida…

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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) 1.48 3.78 -19.11 4 9 0 128 394.387 4 ↓
Hi High (pH 8-9.5) 1.48 4.79 -60.93 3 9 -1 131 393.379 4 ↓

Parameters Provided:

ring.id = 106501
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 = 106501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=106501&filter.purchasability=annotated

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