UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23651463
23651463
23651465
23651465

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Popular Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1-phenyl-cyclopropanecarboxamide N-[4-(4-ethylpiperazin-1-yl)-2-m…

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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) 3.91 12.02 -42.29 2 4 1 37 364.513 5 ↓
Hi High (pH 8-9.5) 3.91 9.79 -10.02 1 4 0 36 363.505 5 ↓

Analogs

738342
738342
738343
738343

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Popular Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenyl-cyclopropanecarboxamide N-[4-(4-methylpiperazin-1-yl)phe…

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) 3.15 10.53 -43.13 2 4 1 37 336.459 4 ↓
Mid Mid (pH 6-8) 3.15 8.18 -9.31 1 4 0 36 335.451 4 ↓

Parameters Provided:

ring.id = 303865
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 = 303865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=303865&filter.purchasability=annotated

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