UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2782847
2782847
2782848
2782848
2782849
2782849

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Popular Name: (6S,7S)-8-keto-3-methyl-7-[(1-methylpyrazole-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 (6S,7S)-8-keto-3-methyl-7-[(1-me…

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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) -0.51 -1.63 -63.5 1 8 -1 107 321.338 3 ↓

Analogs

2782848
2782848
2782849
2782849
2782846
2782846

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-8-keto-3-methyl-7-[(1-methylpyrazole-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 (6R,7S)-8-keto-3-methyl-7-[(1-me…

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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) -0.51 -2.08 -63.96 1 8 -1 107 321.338 3 ↓

Analogs

2782849
2782849
2782846
2782846
2782847
2782847

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-8-keto-3-methyl-7-[(1-methylpyrazole-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 (6S,7R)-8-keto-3-methyl-7-[(1-me…

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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) -0.51 -2.4 -63.84 1 8 -1 107 321.338 3 ↓

Analogs

2782846
2782846
2782847
2782847

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-8-keto-3-methyl-7-[(1-methylpyrazole-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 (6R,7R)-8-keto-3-methyl-7-[(1-me…

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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) -0.51 -2.25 -66.41 1 8 -1 107 321.338 3 ↓

Analogs

2782907
2782907
2782908
2782908
2782909
2782909

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oc (6R,7R)-7-[(1-ethyl-3-methyl-pyr…

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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) 0.09 -1.77 -64.3 1 8 -1 107 349.392 4 ↓

Analogs

2782908
2782908
2782909
2782909
2782906
2782906

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oc (6R,7S)-7-[(1-ethyl-3-methyl-pyr…

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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) 0.09 -1.91 -65.22 1 8 -1 107 349.392 4 ↓

Analogs

2782909
2782909
2782906
2782906
2782907
2782907

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oc (6S,7R)-7-[(1-ethyl-3-methyl-pyr…

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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) 0.09 -2.16 -65.99 1 8 -1 107 349.392 4 ↓

Analogs

2782906
2782906
2782907
2782907

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oc (6S,7S)-7-[(1-ethyl-3-methyl-pyr…

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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) 0.09 -1.78 -64.57 1 8 -1 107 349.392 4 ↓

Analogs

2784714
2784714
2784715
2784715
2784716
2784716
2784717
2784717
2739551
2739551

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-8-keto-3-methyl-7-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct- (6R,7R)-8-keto-3-methyl-7-[(1,3,…

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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) -0.07 -2.26 -68.15 1 8 -1 107 349.392 3 ↓

Analogs

2784714
2784714
2784715
2784715
2784716
2784716
2784717
2784717
2739551
2739551

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-8-keto-3-methyl-7-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct- (6R,7S)-8-keto-3-methyl-7-[(1,3,…

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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) -0.07 -2.76 -63.57 1 8 -1 107 349.392 3 ↓

Analogs

2784714
2784714
2784715
2784715
2784716
2784716
2784717
2784717
2739551
2739551

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-8-keto-3-methyl-7-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct- (6S,7R)-8-keto-3-methyl-7-[(1,3,…

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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) -0.07 -2.37 -61.98 1 8 -1 107 349.392 3 ↓

Analogs

2784714
2784714
2784715
2784715
2784716
2784716
2784717
2784717
2739551
2739551

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-8-keto-3-methyl-7-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct- (6S,7S)-8-keto-3-methyl-7-[(1,3,…

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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) -0.07 -1.64 -61.86 1 8 -1 107 349.392 3 ↓

Analogs

2784715
2784715
2784716
2784716
2784717
2784717
2783859
2783859
2783860
2783860

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(1,3-dimethylpyrazole-4-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-e (6R,7R)-7-[(1,3-dimethylpyrazole…

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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) -0.29 -1.52 -64.44 1 8 -1 107 335.365 3 ↓

Analogs

2784716
2784716
2784717
2784717
2783859
2783859
2783860
2783860

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(1,3-dimethylpyrazole-4-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-e (6R,7S)-7-[(1,3-dimethylpyrazole…

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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) -0.29 -1.96 -65.42 1 8 -1 107 335.365 3 ↓

Analogs

2784717
2784717
2783859
2783859
2783860
2783860

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(1,3-dimethylpyrazole-4-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-e (6S,7R)-7-[(1,3-dimethylpyrazole…

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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) -0.29 -2.21 -66.22 1 8 -1 107 335.365 3 ↓

Analogs

2783859
2783859
2783860
2783860

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7S)-7-[(1,3-dimethylpyrazole-4-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-e (6S,7S)-7-[(1,3-dimethylpyrazole…

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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) -0.29 -1.83 -64.72 1 8 -1 107 335.365 3 ↓

Parameters Provided:

ring.id = 234509
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 = 234509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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