UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31022511
31022511
33594826
33594826
33677291
33677291
33707413
33707413
33720100
33720100

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Popular Name: N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]thiazol-2-yl]benzamide N-[4-[2-(4-benzylpiperazin-1-yl)…

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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) 2.94 9.12 -17.36 1 6 0 66 420.538 6 ↓
Hi High (pH 8-9.5) 3.01 8.21 -54.86 0 6 -1 72 419.53 6 ↓

Analogs

33580965
33580965
33580966
33580966
33580969
33580969
33587912
33587912
33671291
33671291

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Popular Name: N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]thiazol-2-yl]-4-chloro-benzamide N-[4-[2-(4-benzylpiperazin-1-yl)…

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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) 3.62 9.65 -16.33 1 6 0 66 454.983 6 ↓
Hi High (pH 8-9.5) 3.69 8.73 -49.46 0 6 -1 72 453.975 6 ↓

Analogs

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Popular Name: N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]thiazol-2-yl]-3,5-dimethoxy-benzamide N-[4-[2-(4-benzylpiperazin-1-yl)…

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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) 2.98 7.77 -18.62 1 8 0 84 480.59 8 ↓
Hi High (pH 8-9.5) 3.05 6.85 -57.77 0 8 -1 90 479.582 8 ↓

Parameters Provided:

ring.id = 107774
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 = 107774 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=107774&filter.purchasability=annotated

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