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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[[(2S)-2-amino-2-thieno[3,2-b]thiophen-2-yl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyc (6R,7R)-7-[[(2S)-2-amino-2-thien…

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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) -0.52 5.3 -80.4 4 7 0 117 409.514 4 ↓
Mid Mid (pH 6-8) -0.52 4.95 -60.4 3 7 -1 116 408.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[[(2S)-2-amino-2-thieno[3,2-b]thiophen-2-yl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyc (6S,7R)-7-[[(2S)-2-amino-2-thien…

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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) -0.52 5.06 -83.2 4 7 0 117 409.514 4 ↓
Mid Mid (pH 6-8) -0.52 4.72 -61.53 3 7 -1 116 408.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[[(2S)-2-amino-2-thieno[3,2-b]thiophen-2-yl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyc (6R,7S)-7-[[(2S)-2-amino-2-thien…

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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) -0.52 5.06 -91.36 4 7 0 117 409.514 4 ↓
Mid Mid (pH 6-8) -0.52 4.71 -63.85 3 7 -1 116 408.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[[(2S)-2-amino-2-thieno[3,2-b]thiophen-2-yl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyc (6S,7S)-7-[[(2S)-2-amino-2-thien…

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) -0.52 5.3 -89.49 4 7 0 117 409.514 4 ↓
Mid Mid (pH 6-8) -0.52 4.95 -62.72 3 7 -1 116 408.506 4 ↓

Parameters Provided:

ring.id = 513789
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 = 513789 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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