UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione 3-[2-(4-benzylpiperazin-1-yl)eth…

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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) 2.29 9.24 -73.41 1 5 0 54 390.507 6 ↓
Mid Mid (pH 6-8) 2.29 9.22 -84.73 1 5 0 54 390.507 6 ↓
Mid Mid (pH 6-8) 2.29 6.98 -7.75 0 5 0 53 389.499 6 ↓

Analogs

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Popular Name: 3-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-(4-isopropylphenyl)cyclobut-3-ene-1,2-dione 3-[2-(4-benzylpiperazin-1-yl)eth…

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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) 3.35 10.49 -73.23 1 5 0 54 418.561 7 ↓
Mid Mid (pH 6-8) 3.35 10.47 -84.74 1 5 0 54 418.561 7 ↓
Mid Mid (pH 6-8) 3.35 8.23 -7.5 0 5 0 53 417.553 7 ↓

Parameters Provided:

ring.id = 178020
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 = 178020 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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