UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(6-chloropyrimidin-4-yl)sulfanylpyrimidin-4-ol 2-(6-chloropyrimidin-4-yl)sulfan…

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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) 1.29 4.19 -10.31 1 5 0 72 240.675 2 ↓
Hi High (pH 8-9.5) 1.75 2.48 -44.15 0 5 -1 75 239.667 2 ↓
Mid Mid (pH 6-8) 1.29 3.89 -22.78 1 5 0 72 240.675 2 ↓

Analogs

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Popular Name: 4-amino-2-(2-chloro-6-methyl-pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one 4-amino-2-(2-chloro-6-methyl-pyr…

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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) 1.54 2.93 -13.66 3 6 0 98 269.717 2 ↓
Hi High (pH 8-9.5) 1.99 1.22 -53.47 2 6 -1 101 268.709 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(6-chloro-2-methyl-pyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one 4-amino-2-(6-chloro-2-methyl-pyr…

Find On: PubMed — Wikipedia — Google

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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) 1.21 2.89 -12.28 3 6 0 98 269.717 2 ↓
Hi High (pH 8-9.5) 1.66 1.16 -46.55 2 6 -1 101 268.709 2 ↓

Parameters Provided:

ring.id = 21884
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 = 21884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=21884&filter.purchasability=annotated

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