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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: (4R)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1R,8R)-2,3,5,6,7,8-hexa…

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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) -0.31 2.4 -40.76 2 4 1 45 211.285 1 ↓
Hi High (pH 8-9.5) -0.31 -0.13 -7.58 1 4 0 44 210.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1R,8S)-2,3,5,6,7,8-hexa…

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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) -0.31 2.14 -30.9 2 4 1 45 211.285 1 ↓
Hi High (pH 8-9.5) -0.31 -0.43 -10.14 1 4 0 44 210.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1S,8R)-2,3,5,6,7,8-hexa…

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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) -0.31 2.17 -30.55 2 4 1 45 211.285 1 ↓
Hi High (pH 8-9.5) -0.31 -0.43 -9.67 1 4 0 44 210.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1S,8S)-2,3,5,6,7,8-hexa…

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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) -0.31 2.61 -39.21 2 4 1 45 211.285 1 ↓
Hi High (pH 8-9.5) -0.31 0.04 -8.6 1 4 0 44 210.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1R,8R)-2,3,5,6,7,8-hexa…

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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) -0.05 6.33 -58.43 1 5 0 65 238.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1R,8S)-2,3,5,6,7,8-hexa…

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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) -0.05 6.1 -52.6 1 5 0 65 238.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1S,8R)-2,3,5,6,7,8-hexa…

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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) -0.05 6.14 -53.6 1 5 0 65 238.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1S,8S)-2,3,5,6,7,8-hexa…

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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) -0.05 5.82 -59.03 1 5 0 65 238.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidin-2-one (4R)-4-amino-1-[(1R,8R)-2,3,5,6,…

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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) -0.80 3.04 -114.22 4 4 2 52 211.309 1 ↓
Hi High (pH 8-9.5) -0.80 2.75 -39.56 3 4 1 51 210.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidin-2-one (4R)-4-amino-1-[(1R,8S)-2,3,5,6,…

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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) -0.80 2.83 -94.36 4 4 2 52 211.309 1 ↓
Hi High (pH 8-9.5) -0.80 2.54 -29.02 3 4 1 51 210.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidin-2-one (4R)-4-amino-1-[(1S,8R)-2,3,5,6,…

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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) -0.80 2.87 -94.33 4 4 2 52 211.309 1 ↓
Hi High (pH 8-9.5) -0.80 2.58 -29.1 3 4 1 51 210.301 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidin-2-one (4R)-4-amino-1-[(1S,8S)-2,3,5,6,…

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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) -0.80 2.54 -108.22 4 4 2 52 211.309 1 ↓
Hi High (pH 8-9.5) -0.80 2.26 -38.25 3 4 1 51 210.301 1 ↓

Parameters Provided:

ring.id = 508804
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 = 508804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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