UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6S)-2-methyl-6-[[6-(1-methylimidazol-2-yl)pyridazin-3-yl]amino]heptan-2-ol (6S)-2-methyl-6-[[6-(1-methylimi…

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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) 2.21 6.13 -86.53 4 6 2 78 305.426 7 ↓
Mid Mid (pH 6-8) 2.21 5.65 -10.94 2 6 0 76 303.41 7 ↓
Mid Mid (pH 6-8) 2.21 5.96 -32.67 3 6 1 77 304.418 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-6-[[6-(1-methylimidazol-2-yl)pyridazin-3-yl]amino]heptan-2-ol (6R)-2-methyl-6-[[6-(1-methylimi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.21 6.12 -86.11 4 6 2 78 305.426 7 ↓
Mid Mid (pH 6-8) 2.21 5.67 -10.86 2 6 0 76 303.41 7 ↓
Mid Mid (pH 6-8) 2.21 5.96 -32.99 3 6 1 77 304.418 7 ↓

Parameters Provided:

ring.id = 534182
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 = 534182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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