UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41193878
41193878
41208067
41208067
41208068
41208068
45574082
45574082
45574083
45574083

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Popular Name: 1-[(3R)-3-methyl-1-piperidyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one 1-[(3R)-3-methyl-1-piperidyl]-3-…

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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) 2.31 4.81 -10.72 0 5 0 59 299.374 4 ↓

Analogs

41208067
41208067
41208068
41208068
45574082
45574082
45574083
45574083
45574084
45574084

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-methyl-1-piperidyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one 1-[(3S)-3-methyl-1-piperidyl]-3-…

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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) 2.31 4.81 -10.71 0 5 0 59 299.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-piperidyl)-3-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]propan-1-one 1-(1-piperidyl)-3-[5-(p-tolyl)-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) 2.52 4.9 -10.43 0 5 0 59 299.374 4 ↓

Analogs

41208068
41208068
45574082
45574082
45574083
45574083
45574084
45574084
41193875
41193875

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-methyl-1-piperidyl]-3-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]propan-1-one 1-[(3S)-3-methyl-1-piperidyl]-3-…

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) 2.76 5.48 -10.41 0 5 0 59 313.401 4 ↓

Analogs

45574082
45574082
45574083
45574083
45574084
45574084
41193875
41193875
41193878
41193878

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-methyl-1-piperidyl]-3-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]propan-1-one 1-[(3R)-3-methyl-1-piperidyl]-3-…

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) 2.76 5.5 -10.47 0 5 0 59 313.401 4 ↓

Parameters Provided:

ring.id = 220343
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 = 220343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=220343&filter.purchasability=annotated

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