UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402136
12402136
12402137
12402137
12402138
12402138
15021642
15021642
15021645
15021645

Draw Identity 99% 90% 80% 70%

Popular Name: bis(2-methoxyethyl) bis(2-methoxyethyl)

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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) 3.39 1.97 -16.86 1 9 0 118 518.534 13 ↓

Analogs

12402137
12402137
12402138
12402138
15021642
15021642
15021645
15021645
15021648
15021648

Draw Identity 99% 90% 80% 70%

Popular Name: bis(2-methoxyethyl) bis(2-methoxyethyl)

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) 3.39 2.77 -21.93 1 9 0 118 518.534 13 ↓

Analogs

12402138
12402138
15021642
15021642
15021645
15021645
15021648
15021648
15021651
15021651

Draw Identity 99% 90% 80% 70%

Popular Name: bis(2-methoxyethyl) bis(2-methoxyethyl)

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) 3.39 2.14 -18.41 1 9 0 118 518.534 13 ↓

Analogs

15021642
15021642
15021645
15021645
15021648
15021648
15021651
15021651
12402135
12402135

Draw Identity 99% 90% 80% 70%

Popular Name: bis(2-methoxyethyl) bis(2-methoxyethyl)

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) 3.39 2.2 -18.06 1 9 0 118 518.534 13 ↓

Parameters Provided:

ring.id = 100776
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 = 100776 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=100776&filter.purchasability=annotated

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