UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3643076
3643076

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Popular Name: 6-(3-methoxyphenyl)-8-(4-methoxyphenyl)-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thion 6-(3-methoxyphenyl)-8-(4-methoxy…

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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) 3.36 -4.24 -22.63 0 6 0 59 404.513 4 ↓

Analogs

6719021
6719021
6719022
6719022
6719023
6719023
6719024
6719024
39909679
39909679

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Popular Name: 8-(2,5-dimethoxyphenyl)-3,3-dioxo-6-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 8-(2,5-dimethoxyphenyl)-3,3-diox…

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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) 3.31 -3.6 -28.46 0 6 0 59 404.513 4 ↓

Analogs

3643085
3643085
1128150
1128150

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Popular Name: 6-(4-chlorophenyl)-8-(3-methoxyphenyl)-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-(4-chlorophenyl)-8-(3-methoxyp…

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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) 3.98 -4.4 -21.17 0 5 0 49 408.932 3 ↓

Analogs

4168074
4168074
4168075
4168075
34366932
34366932
34366933
34366933
34366934
34366934

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Popular Name: 6-(4-fluorophenyl)-3,3-dioxo-8-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-(4-fluorophenyl)-3,3-dioxo-8-p…

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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) 3.43 -3.53 -21.51 0 4 0 40 362.451 2 ↓

Analogs

4168075
4168075
34366932
34366932
34366933
34366933
34366934
34366934
34366935
34366935

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Popular Name: 6-(4-fluorophenyl)-3,3-dioxo-8-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-(4-fluorophenyl)-3,3-dioxo-8-p…

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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) 3.43 -3.9 -19.14 0 4 0 40 362.451 2 ↓

Analogs

34366932
34366932
34366933
34366933
34366934
34366934
34366935
34366935
4168074
4168074

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Popular Name: 6-(4-fluorophenyl)-3,3-dioxo-8-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 6-(4-fluorophenyl)-3,3-dioxo-8-p…

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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) 3.43 -3.6 -29.32 0 4 0 40 362.451 2 ↓

Analogs

3643087
3643087
1018774
1018774

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Popular Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide 1-(4-fluorophenyl)-3-(4-methylph…

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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) 3.88 -3.28 -29.03 0 4 0 40 376.478 2 ↓

Analogs

40175950
40175950
40175951
40175951
40175952
40175952
40175953
40175953
3643088
3643088

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Popular Name: 1-(4-fluorophenyl)-3-(4-methoxyphenyl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide 1-(4-fluorophenyl)-3-(4-methoxyp…

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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) 3.49 -3.59 -29.59 0 5 0 49 392.477 3 ↓

Analogs

26505307
26505307
26505312
26505312
26505316
26505316
26505321
26505321

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Popular Name: 8-(2,3-dimethylphenyl)-3,3-dioxo-6-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 8-(2,3-dimethylphenyl)-3,3-dioxo…

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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) 4.07 -3.38 -20.9 0 4 0 40 372.515 2 ↓

Analogs

26505307
26505307
26505312
26505312
26505316
26505316
26505321
26505321

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Popular Name: 8-(2,3-dimethylphenyl)-3,3-dioxo-6-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 8-(2,3-dimethylphenyl)-3,3-dioxo…

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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) 4.07 -3.57 -18.83 0 4 0 40 372.515 2 ↓

Analogs

40175926
40175926
40175927
40175927
40175928
40175928
40175929
40175929
40175930
40175930

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Popular Name: 8-(4-ethoxyphenyl)-3,3-dioxo-6-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 8-(4-ethoxyphenyl)-3,3-dioxo-6-p…

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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) 3.70 -4.32 -29.33 0 5 0 49 388.514 4 ↓

Analogs

40175926
40175926
40175927
40175927
40175928
40175928
40175929
40175929
40175930
40175930

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Popular Name: 8-(4-ethoxyphenyl)-3,3-dioxo-6-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione 8-(4-ethoxyphenyl)-3,3-dioxo-6-p…

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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) 3.70 -4.62 -19.63 0 5 0 49 388.514 4 ↓

Parameters Provided:

ring.id = 246428
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 = 246428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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