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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: (5R,6S)-5-amino-1-tert-butyl-6-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-tert-butyl-6-[…

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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) 2.15 6.72 -55.44 3 4 1 61 291.415 3 ↓
Hi High (pH 8-9.5) 2.15 6.41 -6.46 2 4 0 59 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-tert-butyl-6-[…

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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) 2.15 6.88 -55.92 3 4 1 61 291.415 3 ↓
Hi High (pH 8-9.5) 2.15 6.57 -6.83 2 4 0 59 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-tert-butyl-6-[…

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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) 2.15 6.86 -55.96 3 4 1 61 291.415 3 ↓
Hi High (pH 8-9.5) 2.15 6.56 -6.73 2 4 0 59 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-tert-butyl-6-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-tert-butyl-6-[…

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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) 2.15 6.8 -56.38 3 4 1 61 291.415 3 ↓
Hi High (pH 8-9.5) 2.15 6.49 -6.55 2 4 0 59 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-isobutyl-6-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-isobutyl-6-[5-…

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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) 2.09 7.42 -56.59 3 4 1 61 291.415 4 ↓
Hi High (pH 8-9.5) 2.09 6.59 -6.22 2 4 0 59 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-isobutyl-6-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-isobutyl-6-[5-…

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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) 2.09 7.45 -56.67 3 4 1 61 291.415 4 ↓
Hi High (pH 8-9.5) 2.09 6.97 -6.56 2 4 0 59 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-isobutyl-6-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-isobutyl-6-[5-…

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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) 2.09 7.45 -56.71 3 4 1 61 291.415 4 ↓
Hi High (pH 8-9.5) 2.09 6.97 -6.55 2 4 0 59 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-isobutyl-6-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-isobutyl-6-[5-…

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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) 2.09 7.37 -57.04 3 4 1 61 291.415 4 ↓
Hi High (pH 8-9.5) 2.09 6.9 -6.4 2 4 0 59 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-(2-methoxyethyl)-6-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-(2-methoxyethy…

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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) 0.95 5.93 -55.17 3 5 1 70 293.387 5 ↓
Hi High (pH 8-9.5) 0.95 5.63 -7.9 2 5 0 69 292.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-(2-methoxyethyl)-6-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-(2-methoxyethy…

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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) 0.95 5.91 -54.72 3 5 1 70 293.387 5 ↓
Hi High (pH 8-9.5) 0.95 5.61 -7.88 2 5 0 69 292.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-(2-methoxyethyl)-6-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-(2-methoxyethy…

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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) 0.95 5.99 -58.6 3 5 1 70 293.387 5 ↓
Hi High (pH 8-9.5) 0.95 5.69 -9.29 2 5 0 69 292.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-amino-1-(2-methoxyethyl)-6-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]piperidin-2-one (5R,6S)-5-amino-1-(2-methoxyethy…

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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) 0.95 5.93 -58.89 3 5 1 70 293.387 5 ↓
Hi High (pH 8-9.5) 0.95 5.62 -9.08 2 5 0 69 292.379 5 ↓

Parameters Provided:

ring.id = 531358
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 = 531358 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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