UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9560110
9560110
9648150
9648150
9648151
9648151

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Popular Name: 2-[(8-methyl-5-oxo-4-phenethyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-phenyl- 2-[(8-methyl-5-oxo-4-phenethyl-7…

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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) 4.28 -1.29 -18.18 1 5 0 63 437.59 7 ↓

Analogs

9648150
9648150
9648151
9648151
9560109
9560109

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Popular Name: 2-[(8-methyl-5-oxo-4-phenethyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-phenyl- 2-[(8-methyl-5-oxo-4-phenethyl-7…

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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) 4.28 -1.3 -18.24 1 5 0 63 437.59 7 ↓

Analogs

9560112
9560112

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Popular Name: N-(4-fluorophenyl)-2-[(8-methyl-5-oxo-4-phenethyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl) N-(4-fluorophenyl)-2-[(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) 4.44 -0.55 -19.34 1 5 0 63 455.58 7 ↓

Analogs

9560111
9560111

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Popular Name: N-(4-fluorophenyl)-2-[(8-methyl-5-oxo-4-phenethyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl) N-(4-fluorophenyl)-2-[(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) 4.44 -0.55 -19.27 1 5 0 63 455.58 7 ↓

Parameters Provided:

ring.id = 7421
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 = 7421 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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