UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[[3-(4-methoxyphenyl)-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10- N-(5-chloro-2-methoxy-phenyl)-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) 4.10 9.77 -20.75 1 7 0 82 490.006 7 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-(4-methoxyphenyl)-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-d N-(3-chloro-4-methyl-phenyl)-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) 4.49 -1.22 -22.06 1 6 0 73 474.007 6 ↓

Analogs

9560140
9560140

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[(8-methyl-5-oxo-4-phenyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-di N-(5-chloro-2-methoxy-phenyl)-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) 4.41 -1.17 -20.07 1 6 0 73 474.007 6 ↓

Analogs

9560139
9560139

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[(8-methyl-5-oxo-4-phenyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-di N-(5-chloro-2-methoxy-phenyl)-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) 4.41 -1.17 -20.24 1 6 0 73 474.007 6 ↓

Analogs

9560156
9560156

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

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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) 4.45 0.65 -18.29 1 5 0 63 459.543 5 ↓

Analogs

9560155
9560155

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

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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) 4.45 0.68 -17.88 1 5 0 63 459.543 5 ↓

Analogs

9560160
9560160

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Popular Name: 2-[[3-(3,5-dimethylphenyl)-8-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl]sulfanyl 2-[[3-(3,5-dimethylphenyl)-8-met…

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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) 5.16 0.19 -21.24 1 5 0 63 455.58 5 ↓

Analogs

9560159
9560159

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Popular Name: 2-[[3-(3,5-dimethylphenyl)-8-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl]sulfanyl 2-[[3-(3,5-dimethylphenyl)-8-met…

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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) 5.16 0.19 -20.99 1 5 0 63 455.58 5 ↓

Analogs

9560162
9560162
9560165
9560165
9560166
9560166

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Popular Name: 2-[[3-(3,5-dimethylphenyl)-8-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl]sulfanyl 2-[[3-(3,5-dimethylphenyl)-8-met…

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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) 5.11 0.23 -19 1 5 0 63 455.58 5 ↓

Analogs

9560165
9560165
9560166
9560166
9560161
9560161

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Popular Name: 2-[[3-(3,5-dimethylphenyl)-8-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl]sulfanyl 2-[[3-(3,5-dimethylphenyl)-8-met…

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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) 5.11 0.26 -18.49 1 5 0 63 455.58 5 ↓

Analogs

9560166
9560166
9560161
9560161
9560162
9560162

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Popular Name: N-(2,4-difluorophenyl)-2-[[3-(3,5-dimethylphenyl)-8-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona- N-(2,4-difluorophenyl)-2-[[3-(3,…

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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) 5.25 0.97 -18.5 1 5 0 63 473.57 5 ↓

Analogs

9560161
9560161
9560162
9560162
9560165
9560165

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Popular Name: N-(2,4-difluorophenyl)-2-[[3-(3,5-dimethylphenyl)-8-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona- N-(2,4-difluorophenyl)-2-[[3-(3,…

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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) 5.25 0.99 -18.11 1 5 0 63 473.57 5 ↓

Analogs

9560174
9560174

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Popular Name: 2-[[3-(3,5-dimethylphenyl)-8-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl]sulfanyl 2-[[3-(3,5-dimethylphenyl)-8-met…

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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) 5.13 0.2 -22.64 1 5 0 63 455.58 5 ↓

Analogs

9560173
9560173

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Popular Name: 2-[[3-(3,5-dimethylphenyl)-8-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl]sulfanyl 2-[[3-(3,5-dimethylphenyl)-8-met…

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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) 5.13 0.2 -22.73 1 5 0 63 455.58 5 ↓

Analogs

9560186
9560186

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,1 N-(2,4-dimethoxyphenyl)-2-[[4-(4…

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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) 3.95 -0.27 -18.31 1 7 0 82 487.578 7 ↓

Analogs

9560185
9560185

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,1 N-(2,4-dimethoxyphenyl)-2-[[4-(4…

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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) 3.95 -0.27 -18.35 1 7 0 82 487.578 7 ↓

Analogs

9560198
9560198

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]no N-(5-chloro-2-methoxy-phenyl)-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) 4.57 -0.43 -18.42 1 6 0 73 491.997 6 ↓

Analogs

9560197
9560197

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]no N-(5-chloro-2-methoxy-phenyl)-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) 4.57 -0.43 -18.63 1 6 0 73 491.997 6 ↓

Parameters Provided:

ring.id = 7412
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 = 7412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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