UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32628160
32628160

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Popular Name: 3-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine 3-[2-[(2S)-pyrrolidin-2-yl]-1H-i…

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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) 0.78 4 -39.52 3 4 1 58 215.28 2 ↓
Hi High (pH 8-9.5) 0.78 2.79 -7.65 2 4 0 54 214.272 2 ↓
Lo Low (pH 4.5-6) 0.78 4.41 -111.41 4 4 2 59 216.288 2 ↓

Analogs

32628160
32628160

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2R)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine 3-[2-[(2R)-pyrrolidin-2-yl]-1H-i…

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) 0.78 4.1 -39.16 3 4 1 58 215.28 2 ↓
Hi High (pH 8-9.5) 0.78 2.42 -7.66 2 4 0 54 214.272 2 ↓
Lo Low (pH 4.5-6) 0.78 4.53 -111.28 4 4 2 59 216.288 2 ↓

Parameters Provided:

ring.id = 119570
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 = 119570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=119570&filter.purchasability=annotated

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