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Analogs

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Popular Name: N-(1H-pyrazol-4-ylmethyl)pyridazin-3-amine N-(1H-pyrazol-4-ylmethyl)pyridaz…

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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) -0.10 1.65 -11.48 2 5 0 66 175.195 3 ↓
Mid Mid (pH 6-8) -0.10 1.82 -33.78 3 5 1 68 176.203 3 ↓
Mid Mid (pH 6-8) -0.10 1.81 -36.47 3 5 1 68 176.203 3 ↓

Analogs

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Popular Name: N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine N-[(1-methylpyrazol-4-yl)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) -0.03 2.96 -12.05 1 5 0 56 189.222 3 ↓
Mid Mid (pH 6-8) -0.03 3.13 -36.9 2 5 1 57 190.23 3 ↓
Mid Mid (pH 6-8) -0.03 3.13 -34.01 2 5 1 57 190.23 3 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N,5,6-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine 4-(aminomethyl)-N,5,6-trimethyl-…

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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) 0.34 3.99 -29.81 3 6 1 74 261.353 4 ↓
Hi High (pH 8-9.5) 0.34 3.87 -13.68 2 6 0 73 260.345 4 ↓
Mid Mid (pH 6-8) 0.34 4.01 -26.4 3 6 1 74 261.353 4 ↓

Analogs

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Popular Name: 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[ethyl-[(1-methylpyrazol-4-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) 1.28 7.23 -10.31 0 6 0 71 270.34 4 ↓

Parameters Provided:

ring.id = 25697
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 = 25697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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