UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36789426
36789426
36791300
36791300
36791301
36791301
37110630
37110630
37110631
37110631

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Popular Name: 1-cyclopentylpiperidin-4-one 1-cyclopentylpiperidin-4-one

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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) 1.31 6.22 -42.52 1 2 1 22 168.26 1 ↓
Hi High (pH 8-9.5) 1.31 4.01 -4.02 0 2 0 20 167.252 1 ↓

Analogs

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Popular Name: 1-[(1S,2R)-2-hydroxycyclopentyl]piperidin-4-one 1-[(1S,2R)-2-hydroxycyclopentyl]…

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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) 0.16 3.6 -36.73 2 3 1 42 184.259 1 ↓
Hi High (pH 8-9.5) 0.16 1.47 -5.28 1 3 0 41 183.251 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-one 1-[(1R,2R)-2-hydroxycyclopentyl]…

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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) 0.16 3.1 -40.2 2 3 1 42 184.259 1 ↓
Hi High (pH 8-9.5) 0.16 0.96 -5.96 1 3 0 41 183.251 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S)-2-hydroxycyclopentyl]piperidin-4-one 1-[(1S,2S)-2-hydroxycyclopentyl]…

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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) 0.16 3.17 -39.65 2 3 1 42 184.259 1 ↓
Hi High (pH 8-9.5) 0.16 1.04 -5.86 1 3 0 41 183.251 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S)-2-hydroxycyclopentyl]piperidin-4-one 1-[(1R,2S)-2-hydroxycyclopentyl]…

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) 0.16 3.47 -37.2 2 3 1 42 184.259 1 ↓
Hi High (pH 8-9.5) 0.16 1.5 -5.36 1 3 0 41 183.251 1 ↓

Parameters Provided:

ring.id = 46379
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 = 46379 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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