UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11838305
11838305
12055603
12055603
12055606
12055606
12055667
12055667
12055669
12055669

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Popular Name: (3R)-N-cyclopentyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-3-carboxamide (3R)-N-cyclopentyl-1-(2-phenyl-6…

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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) 4.51 -3.59 -16.51 1 5 0 58 390.531 4 ↓

Analogs

12055603
12055603
12055606
12055606
12055667
12055667
12055669
12055669
67688793
67688793

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopentyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-3-carboxamide (3S)-N-cyclopentyl-1-(2-phenyl-6…

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) 4.51 -3.8 -15.25 1 5 0 58 390.531 4 ↓

Parameters Provided:

ring.id = 57500
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 = 57500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=57500&filter.purchasability=annotated

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