UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44679359
44679359
44679360
44679360
44679362
44679362
44679364
44679364

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Popular Name: 1-[(3R)-1-[[(3R)-3-piperidyl]methyl]pyrrolidin-3-yl]piperidine 1-[(3R)-1-[[(3R)-3-piperidyl]met…

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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) 1.61 6.42 -81.3 3 3 2 24 253.434 3 ↓
Hi High (pH 8-9.5) 1.61 4.24 -35.24 2 3 1 23 252.426 3 ↓
Lo Low (pH 4.5-6) 1.61 8.47 -190.19 4 3 3 25 254.442 3 ↓

Analogs

44725433
44725433
44725434
44725434
44725435
44725435
44725436
44725436
44725437
44725437

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Popular Name: 1-[(3S)-1-[[(3R)-3-piperidyl]methyl]pyrrolidin-3-yl]piperidine 1-[(3S)-1-[[(3R)-3-piperidyl]met…

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) 1.61 6.31 -80.99 3 3 2 24 253.434 3 ↓
Hi High (pH 8-9.5) 1.61 4.16 -37.52 2 3 1 23 252.426 3 ↓
Lo Low (pH 4.5-6) 1.61 8.52 -185.69 4 3 3 25 254.442 3 ↓

Parameters Provided:

ring.id = 326049
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 = 326049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=326049&filter.purchasability=annotated

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