UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-piperazin-1-ylpropyl)pyridazin-3-amine N-(3-piperazin-1-ylpropyl)pyrida…

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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) -0.21 1.62 -78.41 4 5 2 59 223.324 5 ↓
Mid Mid (pH 6-8) -0.21 1.62 -78.91 4 5 2 59 223.324 5 ↓
Mid Mid (pH 6-8) -0.21 1.44 -44.97 3 5 1 58 222.316 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-3-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[methyl-[3-(4-met…

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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) 1.32 7.15 -36.69 1 6 1 60 303.434 5 ↓
Hi High (pH 8-9.5) 1.32 7.04 -36.69 1 6 1 60 303.434 5 ↓
Hi High (pH 8-9.5) 1.32 4.78 -7.86 0 6 0 59 302.426 5 ↓

Parameters Provided:

ring.id = 25935
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 = 25935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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