UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42852033
42852033

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Popular Name: dimethoxy(dimethyl)BLAHdiol dimethoxy(dimethyl)BLAHdiol

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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) 6.19 8.3 -10.64 2 8 0 84 594.708 2 ↓
Mid Mid (pH 6-8) 6.19 10.86 -49.73 3 8 1 85 595.716 2 ↓
Lo Low (pH 4.5-6) 6.19 13.02 -93.36 4 8 2 86 596.724 2 ↓

Analogs

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Popular Name: tetramethoxy(dimethyl)BLAH tetramethoxy(dimethyl)BLAH

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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) 6.75 12.36 -11.44 0 8 0 62 622.762 4 ↓
Mid Mid (pH 6-8) 6.75 15.15 -50.56 1 8 1 63 623.77 4 ↓
Lo Low (pH 4.5-6) 6.75 17.27 -92.98 2 8 2 64 624.778 4 ↓

Parameters Provided:

ring.id = 189835
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 = 189835 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=189835&filter.purchasability=annotated

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