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Analogs

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Popular Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octa (2S)-N-(1,3-benzothiazol-2-yl)-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) 4.54 13.53 -19.65 1 6 0 79 461.587 5 ↓

Analogs

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Popular Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octa (2S)-N-(1,3-benzothiazol-2-yl)-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) 4.54 13.63 -19.77 1 6 0 79 461.587 5 ↓

Analogs

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Popular Name: (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[ (2S)-N-(6-methoxy-1,3-benzothiaz…

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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) 4.58 12.89 -18.73 1 7 0 89 491.613 6 ↓

Analogs

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Popular Name: (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[ (2S)-N-(6-methoxy-1,3-benzothiaz…

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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) 4.58 13.05 -18.88 1 7 0 89 491.613 6 ↓

Analogs

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Popular Name: (2R)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3 (2R)-N-(6-methyl-1,3-benzothiazo…

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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) 4.97 14.46 -19.19 1 6 0 79 475.614 5 ↓

Analogs

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Popular Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3 (2S)-N-(6-methyl-1,3-benzothiazo…

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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) 4.97 14.46 -19.24 1 6 0 79 475.614 5 ↓

Analogs

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Popular Name: (2S)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3. (2S)-N-(6-nitro-1,3-benzothiazol…

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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) 4.48 14.24 -17.38 1 9 0 125 506.584 6 ↓

Analogs

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Popular Name: (2S)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3. (2S)-N-(6-nitro-1,3-benzothiazol…

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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) 4.48 14.34 -17.43 1 9 0 125 506.584 6 ↓

Analogs

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Popular Name: (2R)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyc (2R)-N-(4,6-dimethyl-1,3-benzoth…

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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) 5.34 14.76 -15.64 1 6 0 79 489.641 5 ↓

Analogs

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Popular Name: (2S)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyc (2S)-N-(4,6-dimethyl-1,3-benzoth…

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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) 5.34 14.97 -15.82 1 6 0 79 489.641 5 ↓

Parameters Provided:

ring.id = 130630
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 = 130630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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