UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-furyl-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone 3-furyl-[3-(methylamino)-7,8-dih…

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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) 0.12 3.48 -36.5 2 6 1 73 259.289 2 ↓
Mid Mid (pH 6-8) 0.12 3.36 -15.36 1 6 0 71 258.281 2 ↓
Mid Mid (pH 6-8) 0.12 3.54 -37.93 2 6 1 73 259.289 2 ↓

Analogs

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Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methyl-3-furyl)methanone [3-(ethylamino)-7,8-dihydro-5H-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) 0.72 5.16 -35.27 2 6 1 73 287.343 3 ↓
Mid Mid (pH 6-8) 0.72 5.04 -13.99 1 6 0 71 286.335 3 ↓
Mid Mid (pH 6-8) 0.72 5.22 -36.1 2 6 1 73 287.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(3-furyl)methanone [3-(ethylamino)-7,8-dihydro-5H-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) 0.50 4.29 -36.35 2 6 1 73 273.316 3 ↓
Mid Mid (pH 6-8) 0.50 4.17 -14.83 1 6 0 71 272.308 3 ↓
Mid Mid (pH 6-8) 0.50 4.35 -37.48 2 6 1 73 273.316 3 ↓

Parameters Provided:

ring.id = 448711
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 = 448711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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