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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: N4-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]pyridine-3,4-diamine N4-[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 1.85 4.74 -80.85 5 4 2 57 234.347 2 ↓
Hi High (pH 8-9.5) 1.85 4.28 -38.98 4 4 1 55 233.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]pyridine-3,4-diamine N4-[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 1.85 4.52 -80.97 5 4 2 57 234.347 2 ↓
Hi High (pH 8-9.5) 1.85 4.06 -38.95 4 4 1 55 233.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N,N-dimethyl-pyridine-2-carboxamide 4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 2.11 7 -42.76 2 5 1 50 289.403 3 ↓
Lo Low (pH 4.5-6) 2.11 6.98 -58.12 3 5 0 51 290.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N,N-dimethyl-pyridine-2-carboxamide 4-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 2.11 6.78 -43.78 2 5 1 50 289.403 3 ↓
Lo Low (pH 4.5-6) 2.11 6.75 -91.69 3 5 2 51 290.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]pyridine-2-carboxamide 4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 1.49 2.99 -42.2 4 5 1 72 261.349 3 ↓
Mid Mid (pH 6-8) 1.49 3.47 -91.32 5 5 2 74 262.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]pyridine-2-carboxamide 4-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 1.49 2.77 -43.18 4 5 1 72 261.349 3 ↓
Mid Mid (pH 6-8) 1.49 3.25 -92.33 5 5 2 74 262.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(4-pyridyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(4-pyridyl)-1,2,3,5,6…

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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) 2.22 6.61 -81.43 3 3 2 31 219.332 2 ↓
Hi High (pH 8-9.5) 2.22 6.14 -38.12 2 3 1 29 218.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(4-pyridyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(4-pyridyl)-1,2,3,5,6…

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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) 2.22 6.39 -81.48 3 3 2 31 219.332 2 ↓
Hi High (pH 8-9.5) 2.22 5.91 -38.18 2 3 1 29 218.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(3-nitro-4-pyridyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(3-nitro-4-pyridyl)-1…

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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) 2.32 7.06 -42.32 2 6 1 75 263.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(3-nitro-4-pyridyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(3-nitro-4-pyridyl)-1…

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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) 2.32 6.85 -43.71 2 6 1 75 263.321 3 ↓

Parameters Provided:

ring.id = 588538
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 = 588538 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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