UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14558314
14558314
14558317
14558317
14558320
14558320

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Popular Name: Isochamanetin Isochamanetin

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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) 4.68 6.93 -10.72 3 5 0 87 362.381 3 ↓

Analogs

14558317
14558317
14558320
14558320
14811092
14811092
14811094
14811094
31167198
31167198

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Popular Name: Isochamanetin Isochamanetin

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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) 4.68 6.67 -10.13 3 5 0 87 362.381 3 ↓

Analogs

14558320
14558320
14558314
14558314

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Popular Name: (2R)-5-hydroxy-6-[(2-hydroxyphenyl)methyl]-7-methoxy-2-phenyl-chroman-4-one (2R)-5-hydroxy-6-[(2-hydroxyphen…

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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) 4.75 8.87 -9.88 2 5 0 76 376.408 4 ↓

Analogs

14558314
14558314

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-hydroxy-6-[(2-hydroxyphenyl)methyl]-7-methoxy-2-phenyl-chroman-4-one (2S)-5-hydroxy-6-[(2-hydroxyphen…

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) 4.75 8.64 -10.62 2 5 0 76 376.408 4 ↓

Parameters Provided:

ring.id = 246971
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 = 246971 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=246971&filter.purchasability=annotated

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