UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23369315
23369315

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Popular Name: N-[(3R)-1-[[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]ace N-[(3R)-1-[[3-(4-oxo-3,5,6,7-tet…

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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) 1.50 7.78 -63.43 3 6 1 79 353.446 4 ↓
Hi High (pH 8-9.5) 1.95 6.88 -81.76 2 6 0 82 352.438 4 ↓

Analogs

23369312
23369312

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Popular Name: N-[(3S)-1-[[3-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]ace N-[(3S)-1-[[3-(4-oxo-3,5,6,7-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.50 7.26 -61.81 3 6 1 79 353.446 4 ↓
Hi High (pH 8-9.5) 1.95 6.36 -81.34 2 6 0 82 352.438 4 ↓

Parameters Provided:

ring.id = 141263
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = trackref
iosrcn = bgt
iocnl3 = legacy

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 = 141263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=141263&filter.purchasability=annotated

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