UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11819899
11819899

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Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(2-methylimidazol-1-yl)propan-1-one 1-[(3R)-3-(acenaphthene-5-carbon…

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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) 2.91 0.8 -16.1 0 5 0 55 401.51 5 ↓
Mid Mid (pH 6-8) 2.91 1.01 -42.84 1 5 1 56 402.518 5 ↓

Analogs

11819898
11819898

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Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(2-methylimidazol-1-yl)propan-1-one 1-[(3S)-3-(acenaphthene-5-carbon…

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) 2.91 0.8 -15.85 0 5 0 55 401.51 5 ↓
Mid Mid (pH 6-8) 2.91 1.01 -41.99 1 5 1 56 402.518 5 ↓

Parameters Provided:

ring.id = 52671
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 = 52671 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=52671&filter.purchasability=annotated

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