UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2785165
2785165
6393639
6393639
6393778
6393778

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

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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) 1.34 6.41 -65.53 1 6 -1 90 353.326 3 ↓

Analogs

6393639
6393639
6393778
6393778
2785164
2785164

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

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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) 1.34 6.64 -65.36 1 6 -1 90 353.326 3 ↓

Analogs

2785999
2785999
2786000
2786000
2786001
2786001

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

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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) 1.28 6.75 -58.3 1 6 -1 90 335.336 3 ↓

Analogs

2786000
2786000
2786001
2786001
2785998
2785998

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

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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) 1.28 6.51 -59.45 1 6 -1 90 335.336 3 ↓

Analogs

2786001
2786001
2785998
2785998

Draw Identity 99% 90% 80% 70%

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

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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) 1.28 6.51 -59.53 1 6 -1 90 335.336 3 ↓

Analogs

2785998
2785998

Draw Identity 99% 90% 80% 70%

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

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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) 1.28 6.75 -58.33 1 6 -1 90 335.336 3 ↓

Analogs

2786022
2786022
2786023
2786023
2786024
2786024

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Popular Name: (6S,7S)-7-[(2-chlorobenzoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6S,7S)-7-[(2-chlorobenzoyl)amin…

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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) 1.74 7.2 -61.71 1 6 -1 90 351.791 3 ↓

Analogs

2786023
2786023
2786024
2786024
2786021
2786021

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-[(2-chlorobenzoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7S)-7-[(2-chlorobenzoyl)amin…

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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) 1.74 6.96 -62.87 1 6 -1 90 351.791 3 ↓

Analogs

2786024
2786024
2786021
2786021

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7R)-7-[(2-chlorobenzoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6S,7R)-7-[(2-chlorobenzoyl)amin…

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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) 1.74 6.96 -62.91 1 6 -1 90 351.791 3 ↓

Analogs

2786021
2786021

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-[(2-chlorobenzoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-7-[(2-chlorobenzoyl)amin…

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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) 1.74 7.2 -61.73 1 6 -1 90 351.791 3 ↓

Parameters Provided:

ring.id = 235123
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 = 235123 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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