UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-furylmethyl)-2-[7-oxo-2-(1-piperidyl)-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-(2-furylmethyl)-2-[7-oxo-2-(1-…

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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) 2.97 9.72 -16.12 1 8 0 93 447.586 8 ↓

Analogs

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Popular Name: 2-[6-ethyl-2-(4-methyl-1-piperidyl)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-furylmethyl)ac 2-[6-ethyl-2-(4-methyl-1-piperid…

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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) 2.71 9.55 -16.13 1 8 0 93 447.586 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-[2-(4-methyl-1-piperidyl)-7-oxo-6-propyl-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl- N-(2-furylmethyl)-2-[2-(4-methyl…

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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) 3.21 10.31 -15.89 1 8 0 93 461.613 8 ↓

Analogs

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Popular Name: 2-[6-allyl-7-oxo-2-(1-piperidyl)thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-furylmethyl)acetamide 2-[6-allyl-7-oxo-2-(1-piperidyl)…

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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) 2.74 9.51 -16 1 8 0 93 445.57 8 ↓

Parameters Provided:

ring.id = 389210
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = trackref
iosrcn = bgt
iid = 191540506
iocnl3 = legacy

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 = 389210 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=389210&filter.purchasability=annotated

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