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

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Popular Name: (3S)-N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(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) 0.82 4.29 -85.45 4 4 2 50 239.363 2 ↓
Hi High (pH 8-9.5) 0.82 1.87 -41.49 3 4 1 49 238.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(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) 0.82 4.18 -85.16 4 4 2 50 239.363 2 ↓
Hi High (pH 8-9.5) 0.82 1.75 -41.68 3 4 1 49 238.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-methyl-pyrrolidine-3-carboxamide (3S)-N-[(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) 0.82 3.95 -86.32 4 4 2 50 239.363 2 ↓
Hi High (pH 8-9.5) 0.82 1.44 -40.51 3 4 1 49 238.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-methyl-pyrrolidine-3-carboxamide (3R)-N-[(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) 0.82 3.85 -85.58 4 4 2 50 239.363 2 ↓
Hi High (pH 8-9.5) 0.82 1.33 -40.56 3 4 1 49 238.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidine-3-carboxamide (3S)-3-ethyl-N-[(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) 1.15 4.72 -85.43 4 4 2 50 253.39 3 ↓
Hi High (pH 8-9.5) 1.15 2.28 -42.02 3 4 1 49 252.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidine-3-carboxamide (3R)-3-ethyl-N-[(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) 1.15 4.78 -85.83 4 4 2 50 253.39 3 ↓
Hi High (pH 8-9.5) 1.15 2.37 -41.39 3 4 1 49 252.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidine-3-carboxamide (3S)-3-ethyl-N-[(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) 1.15 4.38 -86.19 4 4 2 50 253.39 3 ↓
Hi High (pH 8-9.5) 1.15 1.86 -40.91 3 4 1 49 252.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyrrolidine-3-carboxamide (3R)-3-ethyl-N-[(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) 1.15 4.44 -85.92 4 4 2 50 253.39 3 ↓
Hi High (pH 8-9.5) 1.15 1.93 -40.39 3 4 1 49 252.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(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) 1.71 5.48 -85.92 4 4 2 50 267.417 4 ↓
Hi High (pH 8-9.5) 1.71 3.06 -42.4 3 4 1 49 266.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(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) 1.71 5.55 -86.57 4 4 2 50 267.417 4 ↓
Hi High (pH 8-9.5) 1.71 3.13 -41.84 3 4 1 49 266.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(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) 1.71 5.16 -86.74 4 4 2 50 267.417 4 ↓
Hi High (pH 8-9.5) 1.71 2.65 -41.27 3 4 1 49 266.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(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) 1.71 5.21 -86.54 4 4 2 50 267.417 4 ↓
Hi High (pH 8-9.5) 1.71 2.7 -40.83 3 4 1 49 266.409 4 ↓

Parameters Provided:

ring.id = 300892
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 = 300892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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