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Analogs

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Popular Name: N-(4-pyridylmethyl)pyridazin-3-amine N-(4-pyridylmethyl)pyridazin-3-a…

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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) 0.30 3.58 -34.94 2 4 1 52 187.226 3 ↓
Mid Mid (pH 6-8) 0.30 3.58 -37.28 2 4 1 52 187.226 3 ↓
Mid Mid (pH 6-8) 0.30 3.4 -10.38 1 4 0 51 186.218 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-pyridyl)ethyl]pyridazin-3-amine N-[(1S)-1-(4-pyridyl)ethyl]pyrid…

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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) 0.86 4.29 -34.78 2 4 1 52 201.253 3 ↓
Mid Mid (pH 6-8) 0.86 4.13 -10.44 1 4 0 51 200.245 3 ↓
Mid Mid (pH 6-8) 0.86 4.28 -37.43 2 4 1 52 201.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-pyridyl)ethyl]pyridazin-3-amine N-[(1R)-1-(4-pyridyl)ethyl]pyrid…

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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) 0.86 4.29 -34.76 2 4 1 52 201.253 3 ↓
Mid Mid (pH 6-8) 0.86 4.28 -37.43 2 4 1 52 201.253 3 ↓
Mid Mid (pH 6-8) 0.86 4.12 -10.44 1 4 0 51 200.245 3 ↓

Analogs

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Popular Name: methyl 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) 0.80 2.44 -12.77 1 7 0 86 274.28 6 ↓
Lo Low (pH 4.5-6) 0.80 2.61 -36.29 2 7 1 87 275.288 6 ↓

Parameters Provided:

ring.id = 23751
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 = 23751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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