UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26148402
26148402
34560366
34560366
34560368
34560368
34560369
34560369

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Popular Name: (6R,7R)-3-chloro-7-[[2-(4-methoxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-ca (6R,7R)-3-chloro-7-[[2-(4-methox…

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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) 1.05 5.81 -62.77 1 7 -1 99 381.817 5 ↓

Analogs

40956669
40956669

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Popular Name: (6R,7S)-3-(acetoxymethyl)-7-[hydroxy-(2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en (6R,7S)-3-(acetoxymethyl)-7-[hyd…

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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) 0.59 7.96 -73.71 1 9 -1 127 405.408 7 ↓
Hi High (pH 8-9.5) 0.59 8.77 -120.92 0 9 -2 130 404.4 7 ↓

Analogs

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Popular Name: (6R,7S)-7-[[(2S)-2-amino-2-phenyl-acetyl]amino]-8-oxo-3-[2-oxo-2-(2,2,2-trichloroethoxy)ethyl]-5-thi (6R,7S)-7-[[(2S)-2-amino-2-pheny…

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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) -0.42 7.09 -59.08 3 9 -1 142 521.786 9 ↓
Lo Low (pH 4.5-6) -0.42 7.4 -81.65 4 9 0 143 522.794 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-oxo-3-[2-oxo-2-(2,2,2-trichloroethoxy)ethyl]-5-thi (6R,7S)-7-[[(2R)-2-amino-2-pheny…

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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) -0.42 7.07 -61.35 3 9 -1 142 521.786 9 ↓
Lo Low (pH 4.5-6) -0.42 7.39 -88.6 4 9 0 143 522.794 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[[(2S)-2-amino-2-phenyl-acetyl]amino]-8-oxo-3-[2-oxo-2-(2,2,2-trichloroethoxy)ethyl]-5-thi (6R,7R)-7-[[(2S)-2-amino-2-pheny…

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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) -0.42 7.31 -60.69 3 9 -1 142 521.786 9 ↓
Lo Low (pH 4.5-6) -0.42 7.63 -88.15 4 9 0 143 522.794 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-oxo-3-[2-oxo-2-(2,2,2-trichloroethoxy)ethyl]-5-thi (6R,7R)-7-[[(2R)-2-amino-2-pheny…

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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) -0.42 7.3 -60.76 3 9 -1 142 521.786 9 ↓
Lo Low (pH 4.5-6) -0.42 7.62 -80.89 4 9 0 143 522.794 9 ↓

Analogs

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Popular Name: (6R,7R)-7-[[(2R)-2-[amino(methyl)amino]-2-phenyl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4. (6R,7R)-7-[[(2R)-2-[amino(methyl…

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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) 0.40 5.08 -58.39 3 8 -1 119 375.43 5 ↓
Lo Low (pH 4.5-6) 0.40 4.84 -69.78 4 8 0 120 376.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[[(2S)-2-[amino(methyl)amino]-2-phenyl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4. (6R,7R)-7-[[(2S)-2-[amino(methyl…

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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) 0.40 5.01 -59.25 3 8 -1 119 375.43 5 ↓
Lo Low (pH 4.5-6) 0.40 4.83 -85.42 4 8 0 120 376.438 5 ↓

Parameters Provided:

ring.id = 149344
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 = 149344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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