UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11817412
11817412
12309072
12309072
12309073
12309073
23232135
23232135
23232138
23232138

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Popular Name: (2R)-N-(6-phenoxy-3-pyridyl)-1-propyl-piperidine-2-carboxamide (2R)-N-(6-phenoxy-3-pyridyl)-1-p…

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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) 3.94 -0.6 -39.87 2 5 1 56 340.447 6 ↓
Lo Low (pH 4.5-6) 3.94 -0.04 -82.98 3 5 2 57 341.455 6 ↓

Analogs

12309072
12309072
12309073
12309073
23232135
23232135
23232138
23232138
11817411
11817411

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Popular Name: (2S)-N-(6-phenoxy-3-pyridyl)-1-propyl-piperidine-2-carboxamide (2S)-N-(6-phenoxy-3-pyridyl)-1-p…

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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) 3.94 -0.86 -39.45 2 5 1 56 340.447 6 ↓
Lo Low (pH 4.5-6) 3.94 -0.27 -81.65 3 5 2 57 341.455 6 ↓

Analogs

11821672
11821672

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Popular Name: (2R)-1-(3-methylsulfanylpropyl)-N-(6-phenoxy-3-pyridyl)piperidine-2-carboxamide (2R)-1-(3-methylsulfanylpropyl)-…

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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) 3.86 -1.04 -43.1 2 5 1 56 386.541 8 ↓
Lo Low (pH 4.5-6) 3.86 -0.46 -88.26 3 5 2 57 387.549 8 ↓

Analogs

11821671
11821671

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(3-methylsulfanylpropyl)-N-(6-phenoxy-3-pyridyl)piperidine-2-carboxamide (2S)-1-(3-methylsulfanylpropyl)-…

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) 3.86 -1.02 -43.55 2 5 1 56 386.541 8 ↓
Lo Low (pH 4.5-6) 3.86 -0.43 -88.1 3 5 2 57 387.549 8 ↓

Parameters Provided:

ring.id = 50251
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 = 50251 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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