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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: (3S,5R)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methylamino]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[[1-[(2R)-2-hydroxypro…

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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) -0.43 3.51 -38.84 3 5 1 63 271.381 5 ↓
Mid Mid (pH 6-8) -0.43 4.69 -103.46 4 5 2 68 272.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methylamino]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[[1-[(2R)-2-hydroxypro…

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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) -0.43 3.52 -39.88 3 5 1 63 271.381 5 ↓
Mid Mid (pH 6-8) -0.43 4.59 -105.9 4 5 2 68 272.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methylamino]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[[1-[(2R)-2-hydroxypro…

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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) -0.43 3.61 -40.29 3 5 1 63 271.381 5 ↓
Mid Mid (pH 6-8) -0.43 4.67 -106.06 4 5 2 68 272.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methylamino]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[[1-[(2R)-2-hydroxypro…

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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) -0.43 3.5 -42.08 3 5 1 63 271.381 5 ↓
Mid Mid (pH 6-8) -0.43 4.69 -104.36 4 5 2 68 272.389 5 ↓

Analogs

44513183
44513183
44513185
44513185

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-[(2S)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]tetrahydrofuran-2-one (3R)-3-[[1-[(2S)-2-hydroxypropyl…

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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) -0.29 5.82 -97.89 3 5 2 55 272.389 5 ↓
Hi High (pH 8-9.5) -0.29 1.54 -10.73 1 5 0 53 270.373 5 ↓
Mid Mid (pH 6-8) -0.29 3.75 -38.29 2 5 1 54 271.381 5 ↓

Analogs

44513183
44513183
44513185
44513185

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]tetrahydrofuran-2-one (3R)-3-[[1-[(2R)-2-hydroxypropyl…

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) -0.29 5.82 -98.41 3 5 2 55 272.389 5 ↓
Hi High (pH 8-9.5) -0.29 1.49 -10.82 1 5 0 53 270.373 5 ↓
Mid Mid (pH 6-8) -0.29 3.74 -37.98 2 5 1 54 271.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[[1-[(2R)-2-hydroxypro…

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) -0.18 6.57 -101.17 3 5 2 55 286.416 5 ↓
Hi High (pH 8-9.5) -0.18 2.24 -9.31 1 5 0 53 284.4 5 ↓
Mid Mid (pH 6-8) -0.18 4.47 -41.08 2 5 1 54 285.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[[1-[(2R)-2-hydroxypro…

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) -0.18 6.51 -97.22 3 5 2 55 286.416 5 ↓
Hi High (pH 8-9.5) -0.18 2.22 -10.8 1 5 0 53 284.4 5 ↓
Mid Mid (pH 6-8) -0.18 4.47 -38.42 2 5 1 54 285.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[[1-[(2R)-2-hydroxypro…

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) -0.18 6.52 -103.32 3 5 2 55 286.416 5 ↓
Hi High (pH 8-9.5) -0.18 2.08 -9.32 1 5 0 53 284.4 5 ↓
Mid Mid (pH 6-8) -0.18 4.35 -40.78 2 5 1 54 285.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[[1-[(2R)-2-hydroxypro…

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) -0.18 6.6 -101.2 3 5 2 55 286.416 5 ↓
Hi High (pH 8-9.5) -0.18 2.17 -9.49 1 5 0 53 284.4 5 ↓
Mid Mid (pH 6-8) -0.18 4.43 -40.65 2 5 1 54 285.408 5 ↓

Parameters Provided:

ring.id = 367269
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 = 367269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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