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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: (3R)-3-[4-(5-amino-2-pyridyl)piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[4-(5-amino-2-pyridyl)pip…

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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) -0.48 3.2 -33.2 3 6 1 73 263.321 2 ↓
Mid Mid (pH 6-8) -0.48 2.88 -12.81 2 6 0 72 262.313 2 ↓
Lo Low (pH 4.5-6) -0.48 5.35 -94.86 4 6 2 74 264.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(5-amino-2-pyridyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(5-amino-2-pyridyl)pip…

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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) -0.48 3.16 -33.91 3 6 1 73 263.321 2 ↓
Mid Mid (pH 6-8) -0.48 2.85 -12.83 2 6 0 72 262.313 2 ↓
Lo Low (pH 4.5-6) -0.48 5.34 -95.43 4 6 2 74 264.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[4-(3-amino-2-pyridyl)piperazin-1-yl]tetrahydrofuran-2-one (3R)-3-[4-(3-amino-2-pyridyl)pip…

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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) -0.70 3.37 -30.88 3 6 1 73 263.321 2 ↓
Mid Mid (pH 6-8) -0.70 2.9 -14.71 2 6 0 72 262.313 2 ↓
Lo Low (pH 4.5-6) -0.70 5.68 -94.41 4 6 2 74 264.329 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-(3-amino-2-pyridyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(3-amino-2-pyridyl)pip…

Find On: PubMed — Wikipedia — Google

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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) -0.70 3.51 -34.3 3 6 1 73 263.321 2 ↓
Mid Mid (pH 6-8) -0.70 3.04 -11.04 2 6 0 72 262.313 2 ↓
Lo Low (pH 4.5-6) -0.70 5.68 -94.3 4 6 2 74 264.329 2 ↓

Analogs

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Popular Name: (3S,5R)-3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[4-(5-bromo-2-pyridyl)…

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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 6.17 -12.02 0 5 0 46 340.221 2 ↓
Mid Mid (pH 6-8) 0.95 8.53 -44.12 1 5 1 47 341.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[4-(5-bromo-2-pyridyl)…

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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 6.24 -11.45 0 5 0 46 340.221 2 ↓
Mid Mid (pH 6-8) 0.95 8.44 -47.02 1 5 1 47 341.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[4-(5-bromo-2-pyridyl)…

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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 6.12 -12 0 5 0 46 340.221 2 ↓
Mid Mid (pH 6-8) 0.95 8.44 -45.41 1 5 1 47 341.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[4-(5-bromo-2-pyridyl)…

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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 6.23 -11.93 0 5 0 46 340.221 2 ↓
Mid Mid (pH 6-8) 0.95 8.53 -44.07 1 5 1 47 341.229 2 ↓

Parameters Provided:

ring.id = 15947
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 = 15947 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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