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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 2.34 9.19 -18.16 0 8 0 76 338.371 3 ↓

Analogs

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Popular Name: 4-methyl-1-[4-(3-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]pentan-1-one 4-methyl-1-[4-(3-phenyl-[1,2,4]t…

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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) 3.73 12.18 -18.76 0 7 0 67 378.48 5 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-6-(4-isopropylpiperazin-1-yl)-[1,2,4]triazolo[3,4-f]pyridazine 3-(2-fluorophenyl)-6-(4-isopropy…

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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) 3.28 11.64 -58.82 1 6 1 51 341.414 3 ↓
Mid Mid (pH 6-8) 3.28 9.49 -16.83 0 6 0 50 340.406 3 ↓

Analogs

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Popular Name: 2-[4-[3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]piperazin-1-yl]ethanol 2-[4-[3-(2-fluorophenyl)-[1,2,4]…

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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 5.59 -18.76 1 7 0 70 342.378 4 ↓
Mid Mid (pH 6-8) 1.97 7.9 -59.68 2 7 1 71 343.386 4 ↓

Parameters Provided:

ring.id = 78993
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 = 78993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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