UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4551995
4551995

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Popular Name: (4-ethoxyphenyl) (4-ethoxyphenyl)

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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) 1.01 6.16 -40.98 3 5 1 66 279.36 6 ↓
Hi High (pH 8-9.5) 1.01 4.31 -47.52 3 5 1 66 279.36 6 ↓
Mid Mid (pH 6-8) 1.01 3.99 -8.29 2 5 0 65 278.352 6 ↓

Analogs

26144863
26144863

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Popular Name: (2,6-dimethoxyphenyl) (2,6-dimethoxyphenyl)

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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) 2.08 8.77 -34.27 1 6 1 58 338.424 9 ↓
Mid Mid (pH 6-8) 2.08 7.02 -12.09 0 6 0 57 337.416 9 ↓

Analogs

26144855
26144855

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Popular Name: (2,6-dimethoxyphenyl) (2,6-dimethoxyphenyl)

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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) 2.08 8.53 -37.6 1 6 1 58 338.424 9 ↓
Mid Mid (pH 6-8) 2.08 6.53 -11.57 0 6 0 57 337.416 9 ↓

Parameters Provided:

ring.id = 110027
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 = 110027 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=110027&filter.purchasability=annotated

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