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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11816428
11816428
15062152
15062152
15062154
15062154
15080662
15080662
15080664
15080664

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Popular Name: (3S)-3-hydroxy-1-phenethyl-3-(1-piperidylmethyl)piperidin-2-one (3S)-3-hydroxy-1-phenethyl-3-(1-…

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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) 2.23 -0.98 -27.87 2 4 1 45 317.453 5 ↓

Analogs

15062152
15062152
15062154
15062154
15080662
15080662
15080664
15080664
67446891
67446891

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-hydroxy-1-phenethyl-3-(1-piperidylmethyl)piperidin-2-one (3R)-3-hydroxy-1-phenethyl-3-(1-…

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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) 2.23 -0.96 -36.64 2 4 1 45 317.453 5 ↓

Analogs

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Popular Name: (3R)-3-hydroxy-3-[[4-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]methyl]-1-phenethyl-piperidin-2-one (3R)-3-hydroxy-3-[[4-(1-hydroxy-…

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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) 2.28 7.31 -33.29 3 5 1 65 375.533 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-hydroxy-3-[[4-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]methyl]-1-phenethyl-piperidin-2-one (3S)-3-hydroxy-3-[[4-(1-hydroxy-…

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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) 2.28 7.05 -41.45 3 5 1 65 375.533 6 ↓

Analogs

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Popular Name: N-[1-[[(3R)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]-4-piperidyl]methanesulfonamide N-[1-[[(3R)-3-hydroxy-2-oxo-1-ph…

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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) 0.88 4.92 -44.22 3 7 1 91 410.56 7 ↓
Hi High (pH 8-9.5) 0.88 3.88 -16.72 2 7 0 90 409.552 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[[(3S)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]-4-piperidyl]methanesulfonamide N-[1-[[(3S)-3-hydroxy-2-oxo-1-ph…

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) 0.88 4.67 -54.38 3 7 1 91 410.56 7 ↓
Hi High (pH 8-9.5) 0.88 3.85 -16.14 2 7 0 90 409.552 7 ↓

Parameters Provided:

ring.id = 48971
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 = 48971 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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