UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(1S)-1-methyl-3-phenyl-propyl]a 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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) 2.53 12.84 -60.83 2 8 1 85 455.608 8 ↓
Mid Mid (pH 6-8) 2.53 10.61 -23.88 1 8 0 83 454.6 8 ↓

Analogs

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Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]a 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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) 2.53 12.84 -61.19 2 8 1 85 455.608 8 ↓
Mid Mid (pH 6-8) 2.53 10.61 -24.17 1 8 0 83 454.6 8 ↓

Analogs

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Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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) 2.20 11.83 -60.99 2 8 1 85 441.581 8 ↓
Mid Mid (pH 6-8) 2.20 9.62 -23.85 1 8 0 83 440.573 8 ↓

Parameters Provided:

ring.id = 503697
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = axeso
iosrct = affiliate
iid = 191540506

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 = 503697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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