UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenol 4-[[4-[4-methyl-3-(4-methylpiper…

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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) 4.62 5.94 -23.01 2 8 0 99 489.601 5 ↓
Mid Mid (pH 6-8) 4.62 6.1 -35.22 3 8 1 100 490.609 5 ↓
Mid Mid (pH 6-8) 4.62 8.44 -89.08 4 8 2 101 491.617 5 ↓

Analogs

8606771
8606771

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenol 3-[[4-[4-methyl-3-(4-methylpiper…

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) 4.60 5.95 -22.19 2 8 0 99 489.601 5 ↓
Mid Mid (pH 6-8) 4.60 8.44 -89.27 4 8 2 101 491.617 5 ↓
Mid Mid (pH 6-8) 4.60 6.1 -34.97 3 8 1 100 490.609 5 ↓

Parameters Provided:

ring.id = 46287
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 = 46287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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