UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37799328
37799328
37799377
37799377
37800343
37800343
37800573
37800573
37800603
37800603

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Popular Name: 4-(1-aminocyclohexanecarbonyl)piperazin-2-one 4-(1-aminocyclohexanecarbonyl)pi…

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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) 0.52 0.17 -60.55 4 5 1 77 226.3 1 ↓
Hi High (pH 8-9.5) 0.52 -0.01 -14.39 3 5 0 75 225.292 1 ↓

Analogs

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Popular Name: 4-[(1R,2S)-2-aminocyclohexanecarbonyl]piperazin-2-one 4-[(1R,2S)-2-aminocyclohexanecar…

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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) -0.22 0.05 -43.86 4 5 1 77 226.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R,2R)-2-aminocyclohexanecarbonyl]piperazin-2-one 4-[(1R,2R)-2-aminocyclohexanecar…

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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) -0.22 0.17 -41.69 4 5 1 77 226.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S,2S)-2-aminocyclohexanecarbonyl]piperazin-2-one 4-[(1S,2S)-2-aminocyclohexanecar…

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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) -0.22 0.18 -45.84 4 5 1 77 226.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S,2R)-2-aminocyclohexanecarbonyl]piperazin-2-one 4-[(1S,2R)-2-aminocyclohexanecar…

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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) -0.22 0.1 -46.55 4 5 1 77 226.3 1 ↓

Analogs

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Popular Name: 4-[(1S,3R)-3-aminocyclohexanecarbonyl]piperazin-2-one 4-[(1S,3R)-3-aminocyclohexanecar…

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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) -0.46 0.15 -50.59 4 5 1 77 226.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R,3R)-3-aminocyclohexanecarbonyl]piperazin-2-one 4-[(1R,3R)-3-aminocyclohexanecar…

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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) -0.46 -0.19 -44.8 4 5 1 77 226.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S,3S)-3-aminocyclohexanecarbonyl]piperazin-2-one 4-[(1S,3S)-3-aminocyclohexanecar…

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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) -0.46 -0.14 -53.17 4 5 1 77 226.3 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R,3S)-3-aminocyclohexanecarbonyl]piperazin-2-one 4-[(1R,3S)-3-aminocyclohexanecar…

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) -0.46 -0.03 -49.01 4 5 1 77 226.3 1 ↓

Parameters Provided:

ring.id = 46362
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 = 46362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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