UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36354717
36354717
36354719
36354719
36360127
36360127
36360128
36360128

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Popular Name: (7S)-7-[2-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-2-(methylamino)-6,7-dihydro-4H-thiazolo[4,5-b] (7S)-7-[2-[(4-fluorophenyl)metho…

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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) 3.67 8.6 -12.52 2 6 0 72 413.474 6 ↓
Lo Low (pH 4.5-6) 3.85 7.29 -41.1 3 6 1 78 414.482 6 ↓

Analogs

36354717
36354717
36354719
36354719
36360127
36360127
36360128
36360128

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-[2-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-2-(methylamino)-6,7-dihydro-4H-thiazolo[4,5-b] (7R)-7-[2-[(4-fluorophenyl)metho…

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Activity (Go SEA)

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) 3.67 8.69 -12.39 2 6 0 72 413.474 6 ↓
Lo Low (pH 4.5-6) 3.85 7.33 -37.86 3 6 1 78 414.482 6 ↓

Analogs

36354717
36354717
36354719
36354719

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-2-(methylamino)-6,7-dihydro-4H-thiazolo[4,5-b] (7S)-7-[2-[(2-fluorophenyl)metho…

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Activity (Go SEA)

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) 3.62 8.65 -12.04 2 6 0 72 413.474 6 ↓
Lo Low (pH 4.5-6) 3.80 7.35 -36.29 3 6 1 78 414.482 6 ↓

Analogs

36354717
36354717
36354719
36354719
36366980
36366980
36366982
36366982

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-2-(methylamino)-6,7-dihydro-4H-thiazolo[4,5-b] (7R)-7-[2-[(2-fluorophenyl)metho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.62 8.75 -12.59 2 6 0 72 413.474 6 ↓
Lo Low (pH 4.5-6) 3.80 7.39 -36.09 3 6 1 78 414.482 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-[2-[(3-fluorophenyl)methoxy]-3-methoxy-phenyl]-2-(methylamino)-6,7-dihydro-4H-thiazolo[4,5-b] (7S)-7-[2-[(3-fluorophenyl)metho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.64 8.6 -12.14 2 6 0 72 413.474 6 ↓
Lo Low (pH 4.5-6) 3.83 7.29 -38.57 3 6 1 78 414.482 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-[2-[(3-fluorophenyl)methoxy]-3-methoxy-phenyl]-2-(methylamino)-6,7-dihydro-4H-thiazolo[4,5-b] (7R)-7-[2-[(3-fluorophenyl)metho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.64 8.69 -13.43 2 6 0 72 413.474 6 ↓
Lo Low (pH 4.5-6) 3.83 7.33 -35.63 3 6 1 78 414.482 6 ↓

Parameters Provided:

ring.id = 582856
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 = 582856 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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