UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44649839
44649839
44649841
44649841
44649845
44649845

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Popular Name: 2-[4-[[2-[cyclopropyl(methyl)amino]acetyl]amino]pyrazol-1-yl]-N-methyl-acetamide 2-[4-[[2-[cyclopropyl(methyl)ami…

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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) -0.64 2.66 -50.22 3 7 1 80 266.325 6 ↓
Hi High (pH 8-9.5) -0.64 0.43 -23.48 2 7 0 79 265.317 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(3,5-dimethyl…

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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) -1.03 4.47 -33.83 3 7 0 102 266.301 6 ↓
Hi High (pH 8-9.5) -1.03 2.63 -50.2 2 7 -1 101 265.293 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetic 2-[cyclopropyl-[2-oxo-2-[(1,3,5-…

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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) -0.97 5.71 -34.97 2 7 0 91 280.328 6 ↓
Hi High (pH 8-9.5) -0.97 3.91 -53.45 1 7 -1 90 279.32 6 ↓

Parameters Provided:

ring.id = 545013
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 = 545013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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