UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11982235
11982235
11982239
11982239
11982242
11982242

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Popular Name: (5S)-5-[1-(1-phenylcyclopropanecarbonyl)-4-piperidyl]-5-(3-pyridyl)-3-[[(2S)-tetrahydrofuran-2-yl]me (5S)-5-[1-(1-phenylcyclopropanec…

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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) 2.13 -2.36 -16.62 1 8 0 92 488.588 6 ↓

Analogs

11982239
11982239
11982242
11982242
11982230
11982230

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[1-(1-phenylcyclopropanecarbonyl)-4-piperidyl]-5-(3-pyridyl)-3-[[(2S)-tetrahydrofuran-2-yl]me (5R)-5-[1-(1-phenylcyclopropanec…

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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) 2.13 -2.23 -16.52 1 8 0 92 488.588 6 ↓

Analogs

11982242
11982242
11982230
11982230
11982235
11982235

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-[1-(1-phenylcyclopropanecarbonyl)-4-piperidyl]-5-(3-pyridyl)-3-[[(2R)-tetrahydrofuran-2-yl]me (5S)-5-[1-(1-phenylcyclopropanec…

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) 2.13 -2.23 -16.52 1 8 0 92 488.588 6 ↓

Analogs

11982230
11982230
11982235
11982235

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[1-(1-phenylcyclopropanecarbonyl)-4-piperidyl]-5-(3-pyridyl)-3-[[(2R)-tetrahydrofuran-2-yl]me (5R)-5-[1-(1-phenylcyclopropanec…

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) 2.13 -1.97 -14.86 1 8 0 92 488.588 6 ↓

Parameters Provided:

ring.id = 64531
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 = 64531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=64531&filter.purchasability=annotated

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