UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5148101
5148101

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Popular Name: (4-chlorophenyl)-dimethyl-phenethyl-BLAHdione (4-chlorophenyl)-dimethyl-phenet…

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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) 4.33 0.88 -9.22 0 8 0 77 448.914 4 ↓
Mid Mid (pH 6-8) 4.33 1.16 -39.42 1 8 1 78 449.922 4 ↓

Analogs

5148206
5148206

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Popular Name: (4-fluorophenyl)-dimethyl-phenethyl-BLAHdione (4-fluorophenyl)-dimethyl-phenet…

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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) 3.82 1.76 -9.7 0 8 0 77 432.459 4 ↓
Mid Mid (pH 6-8) 3.82 2.05 -39.98 1 8 1 78 433.467 4 ↓

Parameters Provided:

ring.id = 7892
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 = 7892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7892&filter.purchasability=annotated

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