UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34941239
34941239
34941240
34941240
34941241
34941241

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Popular Name: O-Demethylpuromycin O-Demethylpuromycin

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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) -1.27 -1.42 -14.39 6 12 0 172 457.491 7 ↓

Analogs

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Popular Name: CHEBI:21854; CHEBI:7403 CHEBI:21854; CHEBI:7403

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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) -2.55 -2.68 -138.91 7 15 -2 247 507.4 8 ↓
Lo Low (pH 4.5-6) -2.55 -3.55 -73.92 9 15 0 246 509.416 8 ↓

Analogs

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Popular Name: N/A N/A

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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) -0.73 0.56 -15.8 5 12 0 161 471.518 8 ↓

Parameters Provided:

ring.id = 169559
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 = 169559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=169559&filter.purchasability=annotated

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