UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-imidazolidin-2-one 1-[2-(4-aminopyrazol-1-yl)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) -0.42 2 -15.94 2 6 0 67 209.253 3 ↓

Analogs

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Popular Name: 1-[2-(3-amino-4-chloro-pyrazol-1-yl)ethyl]imidazolidin-2-one 1-[2-(3-amino-4-chloro-pyrazol-1…

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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) -0.21 1.2 -11.85 3 6 0 76 229.671 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-amino-4-methyl-pyrazol-1-yl)ethyl]imidazolidin-2-one 1-[2-(3-amino-4-methyl-pyrazol-1…

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) -0.44 1.38 -12.58 3 6 0 76 209.253 3 ↓
Lo Low (pH 4.5-6) -0.44 1.55 -33.95 4 6 1 77 210.261 3 ↓

Parameters Provided:

ring.id = 30854
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 = 30854 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=30854&filter.purchasability=annotated

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