UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20613997
20613997
20613999
20613999
20614001
20614001
33874348
33874348
33874350
33874350

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Popular Name: (6S,7S)-3-(acetoxymethyl)-7-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-8-oxo-5-thia-1-azabicy (6S,7S)-3-(acetoxymethyl)-7-[3-(…

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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) -0.49 7.83 -76.26 1 13 -1 179 452.425 9 ↓

Analogs

20613999
20613999
20614001
20614001
33874348
33874348
33874350
33874350
33874352
33874352

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Popular Name: (6R,7S)-3-(acetoxymethyl)-7-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-8-oxo-5-thia-1-azabicy (6R,7S)-3-(acetoxymethyl)-7-[3-(…

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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) -0.49 7.61 -77.2 1 13 -1 179 452.425 9 ↓

Analogs

20614001
20614001
33874348
33874348
33874350
33874350
33874352
33874352
33874354
33874354

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Popular Name: (6S,7R)-3-(acetoxymethyl)-7-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-8-oxo-5-thia-1-azabicy (6S,7R)-3-(acetoxymethyl)-7-[3-(…

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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) -0.49 7.67 -71.14 1 13 -1 179 452.425 9 ↓

Analogs

33874348
33874348
33874350
33874350
33874352
33874352
33874354
33874354
20613995
20613995

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Popular Name: (6R,7R)-3-(acetoxymethyl)-7-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-8-oxo-5-thia-1-azabicy (6R,7R)-3-(acetoxymethyl)-7-[3-(…

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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) -0.49 8 -75.99 1 13 -1 179 452.425 9 ↓

Analogs

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Popular Name: (6S,7S)-3-(acetoxymethyl)-7-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-8-oxo-5-thia-1-azabic (6S,7S)-3-(acetoxymethyl)-7-[3-(…

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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) -0.72 4.59 -71.83 1 14 -1 189 468.424 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-3-(acetoxymethyl)-7-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-8-oxo-5-thia-1-azabic (6S,7R)-3-(acetoxymethyl)-7-[3-(…

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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) -0.72 4.46 -75.3 1 14 -1 189 468.424 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-3-(acetoxymethyl)-7-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-8-oxo-5-thia-1-azabic (6R,7S)-3-(acetoxymethyl)-7-[3-(…

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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) -0.72 4.37 -73.11 1 14 -1 189 468.424 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-3-(acetoxymethyl)-7-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-8-oxo-5-thia-1-azabic (6R,7R)-3-(acetoxymethyl)-7-[3-(…

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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) -0.72 4.68 -73.43 1 14 -1 189 468.424 10 ↓

Analogs

2785173
2785173
17080788
17080788
17080789
17080789

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Popular Name: (6R,7R)-8-keto-3-methyl-7-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-5-thia-1-azabicyclo[4.2. (6R,7R)-8-keto-3-methyl-7-[3-(5-…

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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) -0.15 5.79 -64.65 1 11 -1 153 394.389 6 ↓

Analogs

17080788
17080788
17080789
17080789
2785172
2785172

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Popular Name: (6R,7S)-8-keto-3-methyl-7-[3-(5-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-5-thia-1-azabicyclo[4.2. (6R,7S)-8-keto-3-methyl-7-[3-(5-…

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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) -0.15 5.54 -65.23 1 11 -1 153 394.389 6 ↓

Analogs

2785975
2785975
2785976
2785976
2785977
2785977

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Popular Name: (6R,7R)-7-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-8-keto-3-methyl-5-thia-1-azabicyclo[ (6R,7R)-7-[3-(4-bromo-3,5-dimeth…

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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) 0.93 6.32 -60.1 1 8 -1 107 442.315 5 ↓

Analogs

2785976
2785976
2785977
2785977
2785974
2785974

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Popular Name: (6R,7S)-7-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-8-keto-3-methyl-5-thia-1-azabicyclo[ (6R,7S)-7-[3-(4-bromo-3,5-dimeth…

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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) 0.93 6.11 -60.6 1 8 -1 107 442.315 5 ↓

Analogs

2785977
2785977
2785974
2785974
2785975
2785975

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Popular Name: (6S,7R)-7-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-8-keto-3-methyl-5-thia-1-azabicyclo[ (6S,7R)-7-[3-(4-bromo-3,5-dimeth…

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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) 0.93 5.37 -63.97 1 8 -1 107 442.315 5 ↓

Analogs

2785974
2785974
2785975
2785975

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-8-keto-3-methyl-5-thia-1-azabicyclo[ (6S,7S)-7-[3-(4-bromo-3,5-dimeth…

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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) 0.93 6.23 -63.54 1 8 -1 107 442.315 5 ↓

Analogs

13959686
13959686
13959687
13959687
13959688
13959688
35678343
35678343
35678345
35678345

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Popular Name: (6S,7R)-8-keto-3-methyl-7-[[(2S)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-5-thia-1-azabicycl (6S,7R)-8-keto-3-methyl-7-[[(2S)…

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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) 0.11 5.89 -64.23 1 11 -1 153 394.389 6 ↓

Parameters Provided:

ring.id = 73533
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 = 73533 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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