UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37813427
37813427
37813428
37813428
37814274
37814274
37814280
37814280
37814281
37814281

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Popular Name: (2S)-2-[(1-methyl-4-piperidyl)amino]-1-(1-piperidyl)propan-1-one (2S)-2-[(1-methyl-4-piperidyl)am…

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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) 1.11 5.45 -40.36 2 4 1 37 254.398 3 ↓

Analogs

37813422
37813422
37813427
37813427
37813428
37813428
37814274
37814274
37814280
37814280

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Popular Name: (2R)-2-[(1-methyl-4-piperidyl)amino]-1-(1-piperidyl)propan-1-one (2R)-2-[(1-methyl-4-piperidyl)am…

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) 1.11 5.5 -40.37 2 4 1 37 254.398 3 ↓

Analogs

37826943
37826943
37826948
37826948
37826949
37826949
37827372
37827372
37827373
37827373

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Popular Name: 2-[(1-methyl-4-piperidyl)amino]-1-(1-piperidyl)ethanone 2-[(1-methyl-4-piperidyl)amino]-…

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 6.17 -106.97 3 4 2 41 241.379 3 ↓
Hi High (pH 8-9.5) 0.78 4.98 -40.12 2 4 1 37 240.371 3 ↓
Mid Mid (pH 6-8) 0.78 3.79 -40.98 2 4 1 40 240.371 3 ↓

Parameters Provided:

ring.id = 553339
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 = 553339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=553339&filter.purchasability=annotated

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