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Analogs

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

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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) 2.42 10.85 -21.56 1 7 0 92 426.542 5 ↓

Analogs

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

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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) 2.42 11.05 -21.6 1 7 0 92 426.542 5 ↓

Analogs

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

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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) 2.99 11.65 -21.21 1 7 0 92 440.569 6 ↓

Analogs

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

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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) 2.99 11.64 -21.13 1 7 0 92 440.569 6 ↓

Analogs

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Popular Name: (2R)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-phenyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicycl (2R)-N-(5-isopropyl-1,3,4-thiadi…

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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) 3.47 12.26 -20.89 1 7 0 92 454.596 6 ↓

Analogs

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Popular Name: (2S)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-phenyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicycl (2S)-N-(5-isopropyl-1,3,4-thiadi…

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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) 3.47 12.26 -20.81 1 7 0 92 454.596 6 ↓

Analogs

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Popular Name: (2S)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octa (2S)-3-phenyl-N-(1,3,4-thiadiazo…

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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) 2.70 9.87 -21.7 1 7 0 92 412.515 5 ↓

Analogs

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Popular Name: (2S)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octa (2S)-3-phenyl-N-(1,3,4-thiadiazo…

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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) 2.70 9.97 -21.66 1 7 0 92 412.515 5 ↓

Analogs

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Popular Name: (2R)-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3 (2R)-3-phenyl-N-(5-propyl-1,3,4-…

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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) 3.49 12.42 -20.84 1 7 0 92 454.596 7 ↓

Analogs

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Popular Name: (2S)-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3 (2S)-3-phenyl-N-(5-propyl-1,3,4-…

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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) 3.49 12.42 -20.73 1 7 0 92 454.596 7 ↓

Analogs

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

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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) 4.05 13.2 -20.83 1 7 0 92 468.623 8 ↓

Analogs

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

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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) 4.05 13.2 -20.73 1 7 0 92 468.623 8 ↓

Analogs

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Popular Name: (2S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-aza (2S)-N-[5-(methoxymethyl)-1,3,4-…

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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) 2.39 9.65 -22.12 1 8 0 101 456.568 7 ↓

Analogs

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Popular Name: (2S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-aza (2S)-N-[5-(methoxymethyl)-1,3,4-…

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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) 2.39 9.75 -22.21 1 8 0 101 456.568 7 ↓

Analogs

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Popular Name: (2R)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-aza (2R)-N-[5-(1-ethylpropyl)-1,3,4-…

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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) 4.16 13.53 -20.54 1 7 0 92 482.65 8 ↓

Analogs

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Popular Name: (2S)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-aza (2S)-N-[5-(1-ethylpropyl)-1,3,4-…

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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) 4.16 13.53 -20.46 1 7 0 92 482.65 8 ↓

Parameters Provided:

ring.id = 130625
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 = 130625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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