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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 12-Deoxyaklanonic acid; C12420 12-Deoxyaklanonic acid; C12420

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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) 3.06 6.88 -126.45 2 7 -2 138 380.352 5 ↓
Hi High (pH 8-9.5) 2.31 11.65 -233.44 0 7 -3 137 379.344 6 ↓
Hi High (pH 8-9.5) 3.06 9.59 -258.91 1 7 -3 141 379.344 5 ↓

Analogs

1484302
1484302

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Popular Name: DMP 543 DMP 543

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 830 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 830 0.27 Functional ≤ 10μM

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) 5.21 11.61 -28.27 0 3 0 43 412.439 4 ↓

Analogs

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Popular Name: CASANTHRANOL [cascaroside A shown] CASANTHRANOL [cascaroside A shown]

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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) -0.08 -7.53 -18.4 7 10 0 177 434.397 4 ↓
Hi High (pH 8-9.5) -0.08 -6.54 -69.77 6 10 -1 180 433.389 4 ↓
Hi High (pH 8-9.5) -0.08 -6.54 -65.63 6 10 -1 180 433.389 4 ↓

Parameters Provided:

ring.id = 13847
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 = 13847 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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