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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: Benzyl 3-oxo-2,3,7,8-tetrahydropyrido[4,3-c]pyridazine-6(5H)-carboxylate Benzyl 3-oxo-2,3,7,8-tetrahydrop…

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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) 1.53 5.11 -11.59 1 6 0 75 285.303 3 ↓
Hi High (pH 8-9.5) 1.98 3.24 -48.27 0 6 -1 78 284.295 3 ↓

Analogs

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Popular Name: 6-benzyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 6-benzyl-2,5,7,8-tetrahydropyrid…

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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) 1.48 5.86 -54.44 2 4 1 50 242.302 2 ↓
Hi High (pH 8-9.5) 1.94 1.72 -49.66 0 4 -1 52 240.286 2 ↓
Mid Mid (pH 6-8) 1.94 4 -69.2 1 4 0 53 241.294 2 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.78 8.66 -10.88 0 6 0 64 341.411 4 ↓

Analogs

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Popular Name: 2-[(1-isopropylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 2-[(1-isopropylpyrazol-3-yl)meth…

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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) 0.93 4.68 -62 2 6 1 69 274.348 3 ↓
Mid Mid (pH 6-8) 0.93 3.27 -14.45 1 6 0 65 273.34 3 ↓

Analogs

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Popular Name: 2-[(6-methoxy-2-pyridyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 2-[(6-methoxy-2-pyridyl)methyl]-…

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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) 0.73 2.24 -61.45 2 6 1 74 273.316 3 ↓
Mid Mid (pH 6-8) 0.73 0.83 -13.2 1 6 0 69 272.308 3 ↓

Analogs

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Popular Name: 2-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 2-[[1-[(1R)-1-methylpropyl]pyraz…

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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) 1.43 5.31 -61.9 2 6 1 69 288.375 4 ↓
Mid Mid (pH 6-8) 1.43 3.9 -14.48 1 6 0 65 287.367 4 ↓

Analogs

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Popular Name: 2-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 2-[[1-[(1S)-1-methylpropyl]pyraz…

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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) 1.43 5.29 -62.01 2 6 1 69 288.375 4 ↓
Mid Mid (pH 6-8) 1.43 3.88 -14.37 1 6 0 65 287.367 4 ↓

Parameters Provided:

ring.id = 76056
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 = 76056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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