UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-(4-pyridylmethyl)pyrazol-4-amine 1-(2-methoxyethyl)-N-(4-pyridylm…

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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 3.08 -7.16 1 5 0 52 232.287 6 ↓
Lo Low (pH 4.5-6) 0.27 3.54 -38.15 2 5 1 53 233.295 6 ↓

Analogs

20351719
20351719

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Popular Name: 1-(2-methoxyethyl)-N-[(1S)-1-(4-pyridyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1S)-1-(4-…

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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) 0.83 3.82 -7.55 1 5 0 52 246.314 6 ↓
Lo Low (pH 4.5-6) 0.83 4.28 -38.44 2 5 1 53 247.322 6 ↓

Analogs

20351719
20351719

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[(1R)-1-(4-pyridyl)ethyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1R)-1-(4-…

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) 0.83 3.82 -7.51 1 5 0 52 246.314 6 ↓
Lo Low (pH 4.5-6) 0.83 4.27 -38.59 2 5 1 53 247.322 6 ↓

Parameters Provided:

ring.id = 143564
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 = 143564 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=143564&filter.purchasability=annotated

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