UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35644773
35644773
35644777
35644777
36026066
36026066
36026065
36026065
35646519
35646519

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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) 4.55 9.04 -10.12 2 7 0 80 449.551 8 ↓
Mid Mid (pH 6-8) 4.55 11.39 -47.59 3 7 1 81 450.559 8 ↓

Analogs

35664144
35664144
35664145
35664145
35642448
35642448
35642446
35642446
36005234
36005234

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Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

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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) 4.94 10.41 -8.64 2 6 0 71 433.552 7 ↓
Mid Mid (pH 6-8) 4.94 12.76 -45.98 3 6 1 72 434.56 7 ↓

Parameters Provided:

ring.id = 75458
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 = 75458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=75458&filter.purchasability=annotated

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