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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -1.09 -2.33 -74 4 8 1 122 302.38 4 ↓
Hi High (pH 8-9.5) -1.09 -2.57 -28.5 3 8 0 120 301.372 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -1.09 -2.33 -72.04 4 8 1 122 302.38 4 ↓
Hi High (pH 8-9.5) -1.09 -2.57 -27.01 3 8 0 120 301.372 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -0.85 -0.64 -74.83 3 8 1 113 316.407 4 ↓
Hi High (pH 8-9.5) -0.85 -0.9 -29.34 2 8 0 111 315.399 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -0.85 -0.62 -71.79 3 8 1 113 316.407 4 ↓
Hi High (pH 8-9.5) -0.85 -0.88 -27.05 2 8 0 111 315.399 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -0.65 -1.9 -67.32 4 8 1 122 316.407 4 ↓
Hi High (pH 8-9.5) -0.65 -2.14 -26.9 3 8 0 120 315.399 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -0.65 -1.86 -65.56 4 8 1 122 316.407 4 ↓
Hi High (pH 8-9.5) -0.65 -2.1 -25.86 3 8 0 120 315.399 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3R,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -0.77 -1.05 -71.52 4 8 1 122 336.825 4 ↓
Hi High (pH 8-9.5) -0.77 -1.28 -26.75 3 8 0 120 335.817 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3S,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -0.77 -1.76 -70.44 4 8 1 122 336.825 4 ↓
Hi High (pH 8-9.5) -0.77 -2 -26.21 3 8 0 120 335.817 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3R,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -0.77 -1.78 -77.18 4 8 1 122 336.825 4 ↓
Hi High (pH 8-9.5) -0.77 -2.02 -31.94 3 8 0 120 335.817 4 ↓

Analogs

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Popular Name: 2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-N-[(3S,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-[4-(1-amino-1-methyl-ethyl)tri…

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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) -0.77 -1.64 -71.03 4 8 1 122 336.825 4 ↓
Hi High (pH 8-9.5) -0.77 -1.89 -26.42 3 8 0 120 335.817 4 ↓

Parameters Provided:

ring.id = 258819
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 = 258819 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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