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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[(3R)-2-oxo-3-piperidyl]amino]cyclohexanecarbonitrile (1R,2S)-2-[[(3R)-2-oxo-3-piperid…

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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) 1.15 3.19 -38.19 3 4 1 69 222.312 2 ↓
Hi High (pH 8-9.5) 1.15 2.21 -7.96 2 4 0 65 221.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(3R)-2-oxo-3-piperidyl]amino]cyclohexanecarbonitrile (1R,2R)-2-[[(3R)-2-oxo-3-piperid…

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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) 1.15 3.38 -40.73 3 4 1 69 222.312 2 ↓
Hi High (pH 8-9.5) 1.15 2.53 -9.09 2 4 0 65 221.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(3R)-2-oxo-3-piperidyl]amino]cyclohexanecarbonitrile (1S,2S)-2-[[(3R)-2-oxo-3-piperid…

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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) 1.15 3.42 -43.24 3 4 1 69 222.312 2 ↓
Hi High (pH 8-9.5) 1.15 2.31 -10.68 2 4 0 65 221.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(3R)-2-oxo-3-piperidyl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(3R)-2-oxo-3-piperid…

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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) 1.15 3.16 -49.1 3 4 1 69 222.312 2 ↓
Hi High (pH 8-9.5) 1.15 2.24 -14.29 2 4 0 65 221.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S,3R)-3-methoxycyclohexyl]amino]piperidin-2-one (3R)-3-[[(1S,3R)-3-methoxycycloh…

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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) 0.73 2.19 -37.68 3 4 1 55 227.328 3 ↓
Hi High (pH 8-9.5) 0.73 1.11 -7 2 4 0 50 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S,3S)-3-methoxycyclohexyl]amino]piperidin-2-one (3R)-3-[[(1S,3S)-3-methoxycycloh…

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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) 0.73 2.34 -38.39 3 4 1 55 227.328 3 ↓
Hi High (pH 8-9.5) 0.73 1.25 -8.14 2 4 0 50 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R,3R)-3-methoxycyclohexyl]amino]piperidin-2-one (3R)-3-[[(1R,3R)-3-methoxycycloh…

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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) 0.73 2.3 -34.29 3 4 1 55 227.328 3 ↓
Hi High (pH 8-9.5) 0.73 1.3 -6.23 2 4 0 50 226.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1R,3S)-3-methoxycyclohexyl]amino]piperidin-2-one (3R)-3-[[(1R,3S)-3-methoxycycloh…

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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) 0.73 2.15 -38.48 3 4 1 55 227.328 3 ↓
Hi High (pH 8-9.5) 0.73 1.16 -7.49 2 4 0 50 226.32 3 ↓

Parameters Provided:

ring.id = 156304
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 = 156304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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