UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14467105
14467105
14468124
14468124
14474420
14474420
4938806
4938806
4938840
4938840

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Popular Name: (4-chlorophenyl) (4-chlorophenyl)

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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) 1.71 10.13 -16.88 0 8 0 88 348.746 4 ↓
Mid Mid (pH 6-8) 1.71 10.62 -55.58 1 8 1 89 349.754 4 ↓

Analogs

6515277
6515277

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Popular Name: (2,3,6-trimethylphenyl) (2,3,6-trimethylphenyl)

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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) 2.23 11.44 -17.96 0 8 0 88 356.382 4 ↓
Mid Mid (pH 6-8) 2.23 11.93 -54.93 1 8 1 89 357.39 4 ↓

Parameters Provided:

ring.id = 105724
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 = 105724 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=105724&filter.purchasability=annotated

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