UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9560158
9560158
9276766
9276766
9276767
9276767

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Popular Name: N-(6-methylbenzothiazol-2-yl)-2-[[8-methyl-2-oxo-3-(p-tolyl)-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10 N-(6-methylbenzothiazol-2-yl)-2-…

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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) 5.18 -1.9 -25.39 1 6 0 76 494.667 5 ↓

Analogs

9560157
9560157
9276766
9276766

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Popular Name: N-(6-methylbenzothiazol-2-yl)-2-[[8-methyl-2-oxo-3-(p-tolyl)-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10 N-(6-methylbenzothiazol-2-yl)-2-…

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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) 5.18 -1.9 -25.4 1 6 0 76 494.667 5 ↓

Analogs

9560192
9560192

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Popular Name: 2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]-N- 2-[[4-(4-fluorophenyl)-8-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) 4.89 -1.48 -24.25 1 6 0 76 498.63 5 ↓

Analogs

9560191
9560191

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Popular Name: 2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]-N- 2-[[4-(4-fluorophenyl)-8-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) 4.89 -1.49 -24.24 1 6 0 76 498.63 5 ↓

Parameters Provided:

ring.id = 7448
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 = 7448 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7448&filter.purchasability=annotated

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