UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

17949864
17949864
18021065
18021065
18087409
18087409
6144426
6144426
4163380
4163380

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Popular Name: methyl methyl

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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) 4.62 13.41 -12.91 0 7 0 76 476.554 5 ↓
Ref Reference (pH 7) 4.62 13.26 -16.86 0 7 0 76 476.554 5 ↓

Analogs

18023451
18023451
8741592
8741592
8741590
8741590

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Popular Name: ethyl ethyl

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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) 4.48 14.23 -19.15 0 10 0 122 521.551 7 ↓
Ref Reference (pH 7) 4.48 14.06 -16.88 0 10 0 122 521.551 7 ↓

Parameters Provided:

ring.id = 74997
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 = 74997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=74997&filter.purchasability=annotated

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