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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-furyl)ethyl 2-(5-ethyl-2-furyl)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) 2.81 7.74 -12.06 2 5 0 63 294.376 6 ↓
Hi High (pH 8-9.5) 2.06 6.66 -35.76 1 5 -1 70 293.368 5 ↓

Analogs

35017264
35017264

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Popular Name: 2-(5-ethyl-2-furyl)ethyl 2-(5-ethyl-2-furyl)ethyl

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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) 2.17 5.27 -12.42 3 6 0 84 324.402 7 ↓
Mid Mid (pH 6-8) 1.41 4.14 -37.03 2 6 -1 90 323.394 6 ↓

Analogs

35017262
35017262

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-furyl)ethyl 2-(5-ethyl-2-furyl)ethyl

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) 2.17 5.23 -12.12 3 6 0 84 324.402 7 ↓
Mid Mid (pH 6-8) 1.41 4.15 -36.68 2 6 -1 90 323.394 6 ↓

Parameters Provided:

ring.id = 14801
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 = 14801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14801&filter.purchasability=annotated

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