UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40880981
40880981
45495213
45495213
45496051
45496051
32628160
32628160

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Popular Name: (2S)-2-[5-(1-naphthyl)-1H-imidazol-2-yl]piperidine (2S)-2-[5-(1-naphthyl)-1H-imidaz…

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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) 3.51 8.37 -38.01 3 3 1 45 278.379 2 ↓
Hi High (pH 8-9.5) 3.51 7.84 -8.55 2 3 0 41 277.371 2 ↓
Lo Low (pH 4.5-6) 3.51 8.86 -112.73 4 3 2 47 279.387 2 ↓

Analogs

40880981
40880981
45495213
45495213
45496051
45496051
32628160
32628160

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(1-naphthyl)-1H-imidazol-2-yl]piperidine (2R)-2-[5-(1-naphthyl)-1H-imidaz…

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) 3.51 8.37 -37.8 3 3 1 45 278.379 2 ↓
Hi High (pH 8-9.5) 3.51 7.47 -8.13 2 3 0 41 277.371 2 ↓
Lo Low (pH 4.5-6) 3.51 8.86 -112.78 4 3 2 47 279.387 2 ↓

Parameters Provided:

ring.id = 121274
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 = 121274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=121274&filter.purchasability=annotated

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