UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethyl]triazole-4-carboxylic 1-[2-(3-methyl-2-oxo-imidazolidi…

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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) -0.55 3.31 -59.14 0 8 -1 94 238.227 4 ↓

Analogs

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Popular Name: 1-[2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]ethyl]imidazolidin-2-one 1-[2-[4-(2,2,2-trifluoroacetyl)t…

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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) -0.27 1.49 -13.8 1 7 0 80 277.206 5 ↓

Analogs

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Popular Name: 1-[2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]ethyl]imidazolidin-2-one 1-[2-[4-(1-amino-1-methyl-ethyl)…

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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) -0.52 -0.25 -53.41 4 7 1 91 239.303 4 ↓
Hi High (pH 8-9.5) -0.52 -0.51 -13.72 3 7 0 89 238.295 4 ↓

Parameters Provided:

ring.id = 30868
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 = 30868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=30868&filter.purchasability=annotated

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