UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38196118
38196118

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Popular Name: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-8-(morpholinomethyl)chromen-4-one 3-(2-ethoxyphenoxy)-7-hydroxy-2-…

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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) 3.45 6.6 -17.02 1 7 0 81 411.454 6 ↓
Hi High (pH 8-9.5) 3.45 7.04 -46.79 0 7 -1 84 410.446 6 ↓
Lo Low (pH 4.5-6) 3.45 8.95 -60.14 2 7 1 83 412.462 6 ↓

Analogs

2407056
2407056
2409937
2409937

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Popular Name: 3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-(morpholinomethyl)chromen-4-one 3-(2-bromophenoxy)-7-hydroxy-2-m…

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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) 4.03 6.47 -14.67 1 6 0 72 446.297 4 ↓
Hi High (pH 8-9.5) 4.03 6.91 -43.32 0 6 -1 75 445.289 4 ↓

Analogs

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Popular Name: 7-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-(morpholinomethyl)chromen-4-one 7-hydroxy-3-(2-methoxyphenoxy)-2…

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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) 3.08 5.44 -14.75 1 7 0 81 397.427 5 ↓
Hi High (pH 8-9.5) 3.08 6.03 -46.27 0 7 -1 84 396.419 5 ↓
Lo Low (pH 4.5-6) 3.08 7.73 -52.42 2 7 1 83 398.435 5 ↓

Analogs

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Popular Name: propyl propyl

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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) 4.09 7.13 -15.11 1 8 0 98 439.464 8 ↓
Hi High (pH 8-9.5) 4.09 7.76 -42.22 0 8 -1 101 438.456 8 ↓

Parameters Provided:

ring.id = 71333
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 = 71333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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