UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45618496
45618496
12899532
12899532
12899539
12899539
12997933
12997933

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Popular Name: 3-[(2R)-3-(4-ethoxyphenoxy)-2-hydroxy-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one 3-[(2R)-3-(4-ethoxyphenoxy)-2-hy…

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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 9.23 -19.95 1 6 0 74 422.506 8 ↓

Analogs

12899532
12899532
12899539
12899539
12997933
12997933

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Popular Name: 3-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxy-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one 3-[(2S)-3-(4-ethoxyphenoxy)-2-hy…

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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 10.07 -17.94 1 6 0 74 422.506 8 ↓

Analogs

45618513
45618513

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Popular Name: 3-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one 3-[(2R)-2-hydroxy-3-(2-isopropyl…

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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) 4.56 11.03 -18.74 1 5 0 64 420.534 7 ↓

Analogs

45618510
45618510

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Popular Name: 3-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one 3-[(2S)-2-hydroxy-3-(2-isopropyl…

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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) 4.56 11.87 -16.62 1 5 0 64 420.534 7 ↓

Parameters Provided:

ring.id = 16380
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 = 16380 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=16380&filter.purchasability=annotated

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