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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: [3-(8-azaspiro[4.5]decan-8-yl)-5,6-dimethyl-pyridazin-4-yl]methanamine [3-(8-azaspiro[4.5]decan-8-yl)-5…

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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) 2.44 6.54 -57.84 3 4 1 57 275.42 2 ↓
Mid Mid (pH 6-8) 2.44 6.2 -7.29 2 4 0 55 274.412 2 ↓

Analogs

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Popular Name: 3-(8-azaspiro[4.5]decan-8-yl)-5,6-dimethyl-pyridazine-4-carboxamidine 3-(8-azaspiro[4.5]decan-8-yl)-5,…

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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) 1.65 5.68 -41.25 4 5 1 81 288.419 2 ↓
Mid Mid (pH 6-8) 1.65 5.73 -7.82 3 5 0 79 287.411 2 ↓

Analogs

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Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]methanol [6-(8-azaspiro[4.5]decan-8-yl)py…

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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) 1.92 4.71 -7.44 1 4 0 49 247.342 2 ↓

Analogs

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Popular Name: 8-[6-(chloromethyl)pyridazin-3-yl]-8-azaspiro[4.5]decane 8-[6-(chloromethyl)pyridazin-3-y…

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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) 3.16 8.48 -7.83 0 3 0 29 265.788 2 ↓

Analogs

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Popular Name: [6-(8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]methanamine [6-(8-azaspiro[4.5]decan-8-yl)py…

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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) 1.77 5.25 -46.31 3 4 1 57 247.366 2 ↓
Mid Mid (pH 6-8) 1.77 4.84 -8.62 2 4 0 55 246.358 2 ↓

Analogs

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Popular Name: 1-[6-(8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]-N-methyl-methanamine 1-[6-(8-azaspiro[4.5]decan-8-yl)…

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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) 2.15 7.12 -41.06 2 4 1 46 261.393 3 ↓
Mid Mid (pH 6-8) 2.15 5.67 -6.5 1 4 0 41 260.385 3 ↓

Analogs

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Popular Name: N-[[6-(8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]methyl]ethanamine N-[[6-(8-azaspiro[4.5]decan-8-yl…

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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) 2.52 7.98 -40.09 2 4 1 46 275.42 4 ↓
Hi High (pH 8-9.5) 2.52 6.6 -6.34 1 4 0 41 274.412 4 ↓

Analogs

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Popular Name: N-[[6-(8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]methyl]propan-1-amine N-[[6-(8-azaspiro[4.5]decan-8-yl…

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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) 3.02 8.73 -40.9 2 4 1 46 289.447 5 ↓
Hi High (pH 8-9.5) 3.02 7.36 -6.21 1 4 0 41 288.439 5 ↓

Analogs

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Popular Name: N-[[6-(8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]methyl]propan-2-amine N-[[6-(8-azaspiro[4.5]decan-8-yl…

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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) 2.82 8.5 -38.12 2 4 1 46 289.447 4 ↓
Hi High (pH 8-9.5) 2.82 7.28 -6.12 1 4 0 41 288.439 4 ↓

Analogs

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Popular Name: 3-(8-azaspiro[4.5]decan-8-yl)-5,6-dimethyl-pyridazine-4-carbonitrile 3-(8-azaspiro[4.5]decan-8-yl)-5,…

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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) 3.02 8.78 -6.29 0 4 0 53 270.38 1 ↓

Analogs

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Popular Name: 3-(8-azaspiro[4.5]decan-8-yl)-5,6-dimethyl-pyridazine-4-carbothioamide 3-(8-azaspiro[4.5]decan-8-yl)-5,…

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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) 3.06 7.62 -12.11 2 4 0 55 304.463 2 ↓

Analogs

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Popular Name: 6-(8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxylic 6-(8-azaspiro[4.5]decan-8-yl)pyr…

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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) 2.16 7.82 -51.66 0 5 -1 69 260.317 2 ↓

Analogs

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Popular Name: 8-(6-chloropyridazin-3-yl)-8-azaspiro[4.5]decane 8-(6-chloropyridazin-3-yl)-8-aza…

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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) 3.54 7.7 -6.9 0 3 0 29 251.761 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(8-azaspiro[4.5]decan-8-yl)-5,6-dimethyl-pyridazine-4-carboxylic 3-(8-azaspiro[4.5]decan-8-yl)-5,…

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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) 2.83 9.13 -49.39 0 5 -1 69 288.371 2 ↓

Parameters Provided:

ring.id = 317024
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 = 317024 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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