UCSF
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Analogs

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Popular Name: (6R,7R)-7-[[2-[(2-aminothiazol-4-yl)amino]acetyl]amino]-3-(isothiazol-4-ylsulfanylmethyl)-8-oxo-5-th (6R,7R)-7-[[2-[(2-aminothiazol-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) 0.55 3.91 -63.09 4 10 -1 153 483.602 8 ↓
Mid Mid (pH 6-8) 0.55 4.38 -73.89 5 10 0 155 484.61 8 ↓

Analogs

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Popular Name: (6S,7R)-7-[[2-[(2-aminothiazol-4-yl)amino]acetyl]amino]-3-(isothiazol-4-ylsulfanylmethyl)-8-oxo-5-th (6S,7R)-7-[[2-[(2-aminothiazol-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) 0.55 3.66 -65.23 4 10 -1 153 483.602 8 ↓
Mid Mid (pH 6-8) 0.55 4.13 -76.37 5 10 0 155 484.61 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[[2-[(2-aminothiazol-4-yl)amino]acetyl]amino]-3-(isothiazol-4-ylsulfanylmethyl)-8-oxo-5-th (6R,7S)-7-[[2-[(2-aminothiazol-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) 0.55 3.67 -64.64 4 10 -1 153 483.602 8 ↓
Mid Mid (pH 6-8) 0.55 4.15 -75.82 5 10 0 155 484.61 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[[2-[(2-aminothiazol-4-yl)amino]acetyl]amino]-3-(isothiazol-4-ylsulfanylmethyl)-8-oxo-5-th (6S,7S)-7-[[2-[(2-aminothiazol-4…

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) 0.55 3.9 -62.98 4 10 -1 153 483.602 8 ↓
Mid Mid (pH 6-8) 0.55 4.37 -73.43 5 10 0 155 484.61 8 ↓

Parameters Provided:

ring.id = 197527
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 = 197527 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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