UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42434572
42434572

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Popular Name: 6-amino-1-ethyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-2,4-dione 6-amino-1-ethyl-5-[(2R)-2-(hydro…

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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) -0.84 0.2 -12.41 4 7 0 104 254.29 3 ↓

Analogs

42434571
42434571

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Popular Name: 6-amino-1-ethyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-2,4-dione 6-amino-1-ethyl-5-[(2S)-2-(hydro…

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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) -0.84 0.21 -12.32 4 7 0 104 254.29 3 ↓

Analogs

42434574
42434574

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Popular Name: 6-amino-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methyl-pyrimidine-2,4-dione 6-amino-5-[(2R)-2-(hydroxymethyl…

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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) -1.22 -0.77 -12.64 4 7 0 104 240.263 2 ↓

Analogs

42434573
42434573

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methyl-pyrimidine-2,4-dione 6-amino-5-[(2S)-2-(hydroxymethyl…

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) -1.22 -0.79 -12.5 4 7 0 104 240.263 2 ↓

Parameters Provided:

ring.id = 617565
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 = 617565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=617565&filter.purchasability=annotated

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