UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-Hydroxy-5-(3-thienyl)pyrimidine 2-Hydroxy-5-(3-thienyl)pyrimidine

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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) 1.19 1.9 -14.08 1 3 0 46 178.216 1 ↓
Hi High (pH 8-9.5) 1.64 -0.25 -48.99 0 3 -1 49 177.208 1 ↓

Analogs

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Popular Name: 4-(2-hydroxypyrimidin-5-yl)thiophene-2-carbaldehyde 4-(2-hydroxypyrimidin-5-yl)thiop…

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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 1.72 -18.82 1 4 0 63 206.226 2 ↓
Hi High (pH 8-9.5) 1.67 -0.41 -51.03 0 4 -1 66 205.218 2 ↓

Analogs

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Popular Name: YA-5763 YA-5763

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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) 1.00 2.6 -55.53 1 5 -1 86 221.217 2 ↓
Hi High (pH 8-9.5) 1.45 0.47 -101.15 0 5 -2 89 220.209 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.26 2.67 -19.47 1 5 0 72 236.252 3 ↓
Hi High (pH 8-9.5) 1.71 0.54 -52.91 0 5 -1 75 235.244 3 ↓

Parameters Provided:

ring.id = 394711
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 = 394711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=394711&filter.purchasability=annotated

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