UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48532143
48532143

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Popular Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1-(2,3-dihydrobenzofuran-5-yl)prop-2-en-1-one (E)-3-(3-chloro-4-hydroxy-5-meth…

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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) 4.01 6.78 -10.82 1 4 0 56 330.767 4 ↓

Analogs

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Popular Name: (E)-1-(2,3-dihydrobenzofuran-5-yl)-3-(3-hydroxyphenyl)prop-2-en-1-one (E)-1-(2,3-dihydrobenzofuran-5-y…

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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) 3.33 6.23 -10.76 1 3 0 47 266.296 3 ↓

Analogs

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Popular Name: (E)-1-(2,3-dihydrobenzofuran-5-yl)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-en-1-one (E)-1-(2,3-dihydrobenzofuran-5-y…

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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) 3.18 6.24 -12.43 1 4 0 56 296.322 4 ↓

Analogs

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Popular Name: Crassichalcone Crassichalcone

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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) 4.71 7.63 -9.58 1 4 0 56 336.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Crassichalcone Crassichalcone

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.71 7.74 -9.61 1 4 0 56 336.387 5 ↓

Parameters Provided:

ring.id = 112657
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 = 112657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=112657&filter.purchasability=annotated

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