UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(2R)-2-(3-pyridyl)-1-piperidyl]-(tetramethylBLAHyl)methanone [(2R)-2-(3-pyridyl)-1-piperidyl]…

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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) 1.94 6.84 -11.92 0 8 0 79 418.49 2 ↓
Lo Low (pH 4.5-6) 1.94 7.12 -37.08 1 8 1 81 419.498 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-pyridyl)-1-piperidyl]-(tetramethylBLAHyl)methanone [(2R)-2-(3-pyridyl)-1-piperidyl]…

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) 1.94 6.48 -12.38 0 8 0 79 418.49 2 ↓
Lo Low (pH 4.5-6) 1.94 6.77 -31.92 1 8 1 81 419.498 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-pyridyl)-1-piperidyl]-(tetramethylBLAHyl)methanone [(2R)-2-(3-pyridyl)-1-piperidyl]…

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) 1.94 6.93 -20.73 0 8 0 79 418.49 2 ↓
Lo Low (pH 4.5-6) 1.94 7.23 -34.65 1 8 1 81 419.498 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-pyridyl)-1-piperidyl]-(tetramethylBLAHyl)methanone [(2R)-2-(3-pyridyl)-1-piperidyl]…

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) 1.94 6.53 -12.71 0 8 0 79 418.49 2 ↓
Lo Low (pH 4.5-6) 1.94 6.81 -31.99 1 8 1 81 419.498 2 ↓

Parameters Provided:

ring.id = 147119
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 = 147119 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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