UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43231616
43231616
43231619
43231619
43231622
43231622
43231625
43231625
43231628
43231628

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Popular Name: 2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[(2S)-2-(1-methylpyrazol-4-yl)…

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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) 0.46 6.84 -38.96 1 5 1 43 263.365 3 ↓
Hi High (pH 8-9.5) 0.46 4.93 -14.01 0 5 0 41 262.357 3 ↓

Analogs

43231622
43231622
43231625
43231625
43231628
43231628
43231631
43231631
43232071
43232071

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Popular Name: 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[(2R)-2-(1-methylpyrazol-4-yl)…

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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) 0.46 6.86 -38.25 1 5 1 43 263.365 3 ↓
Hi High (pH 8-9.5) 0.46 4.94 -13.63 0 5 0 41 262.357 3 ↓

Parameters Provided:

ring.id = 507926
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 = 507926 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=507926&filter.purchasability=annotated

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