UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(3-pyridyl)ethyl]pyridazin-3-amine N-[2-(3-pyridyl)ethyl]pyridazin-…

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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) 0.76 4.16 -10.2 1 4 0 51 200.245 4 ↓
Mid Mid (pH 6-8) 0.76 4.32 -33.57 2 4 1 52 201.253 4 ↓
Mid Mid (pH 6-8) 0.76 4.33 -35.48 2 4 1 52 201.253 4 ↓

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) 0.86 4.73 -11.64 1 6 0 77 258.281 6 ↓
Lo Low (pH 4.5-6) 0.86 5.2 -45.49 2 6 1 78 259.289 6 ↓

Analogs

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Popular Name: 6-chloro-N-[2-(3-pyridyl)ethyl]pyridazin-3-amine 6-chloro-N-[2-(3-pyridyl)ethyl]p…

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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) 1.97 4.57 -9.83 1 4 0 51 234.69 4 ↓
Lo Low (pH 4.5-6) 1.97 5.04 -43.33 2 4 1 52 235.698 4 ↓

Analogs

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Popular Name: 6-[2-(3-pyridyl)ethylamino]pyridazine-3-carboxylic 6-[2-(3-pyridyl)ethylamino]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) 0.60 4.67 -53.28 1 6 -1 91 243.246 5 ↓
Lo Low (pH 4.5-6) 0.60 5.31 -87.72 3 6 1 93 245.262 5 ↓
Lo Low (pH 4.5-6) 0.60 4.84 -45.81 2 6 0 92 244.254 5 ↓

Parameters Provided:

ring.id = 25669
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 = 25669 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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