UCSF
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Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(1R)-1-phenylethyl]ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.79 8.62 -19.26 1 6 0 70 409.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(1S)-1-phenylethyl]ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.79 8.62 -19.46 1 6 0 70 409.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(1R)-1-phenylethyl]ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.79 8.67 -19.16 1 6 0 70 409.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(1S)-1-phenylethyl]ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.79 8.67 -19.04 1 6 0 70 409.511 5 ↓

Analogs

3936936
3936936

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(m-tolylmethyl)benzamid 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.65 8.44 -18.8 1 6 0 70 409.511 5 ↓

Analogs

3936936
3936936

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(m-tolylmethyl)benzamid 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.65 8.48 -17.84 1 6 0 70 409.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(3-methoxyphenyl)methy 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.26 7.09 -20.32 1 7 0 79 425.51 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(3-methoxyphenyl)methy 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.26 7.13 -19.17 1 7 0 79 425.51 6 ↓

Analogs

4920427
4920427
6505992
6505992
6505993
6505993

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(2-fluorophenyl)methyl 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.34 7.81 -20.09 1 6 0 70 413.474 5 ↓

Analogs

4920427
4920427
6505992
6505992
6505993
6505993

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(2-fluorophenyl)methyl 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.34 7.86 -19.16 1 6 0 70 413.474 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(4-dimethylaminophenyl 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.33 8.14 -19.07 1 7 0 73 438.553 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(4-dimethylaminophenyl 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.33 8.2 -18.61 1 7 0 73 438.553 6 ↓

Parameters Provided:

ring.id = 85446
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 = 85446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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