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Analogs

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Popular Name: 4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine 4-(5-ethyl-1H-1,2,4-triazol-3-yl…

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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) -0.04 3.39 -42.08 3 4 1 58 181.263 2 ↓

Analogs

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Popular Name: 4-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine 4-methyl-4-(5-methyl-1H-1,2,4-tr…

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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) 0.02 3.04 -43.3 3 4 1 58 181.263 1 ↓

Analogs

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Popular Name: 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-piperidine 4-(5-ethyl-1H-1,2,4-triazol-3-yl…

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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) 0.59 3.66 -42.91 3 4 1 58 195.29 2 ↓

Analogs

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Popular Name: 3-(4-methyl-4-piperidyl)-1H-1,2,4-triazol-5-amine 3-(4-methyl-4-piperidyl)-1H-1,2,…

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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) -0.27 2.81 -43.57 5 5 1 84 182.251 1 ↓

Analogs

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Popular Name: 4-(5-isopropyl-1H-1,2,4-triazol-3-yl)-4-methyl-piperidine 4-(5-isopropyl-1H-1,2,4-triazol-…

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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) 1.07 4.19 -42.41 3 4 1 58 209.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine 4-methyl-4-(5-propyl-1H-1,2,4-tr…

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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 4.43 -42.73 3 4 1 58 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-4-(1H-1,2,4-triazol-3-yl)piperidine 4-methyl-4-(1H-1,2,4-triazol-3-y…

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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 3.25 -43.57 3 4 1 58 167.236 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propyl-piperidine 4-(5-methyl-1H-1,2,4-triazol-3-y…

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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) 0.90 4.77 -43.38 3 4 1 58 209.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine 4-ethyl-4-(5-methyl-1H-1,2,4-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) 0.34 4.02 -43.12 3 4 1 58 195.29 2 ↓

Analogs

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Popular Name: 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-propyl-piperidine 4-(5-ethyl-1H-1,2,4-triazol-3-yl…

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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) 1.47 5.39 -42.98 3 4 1 58 223.344 4 ↓

Analogs

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Popular Name: 4-ethyl-4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine 4-ethyl-4-(5-ethyl-1H-1,2,4-tria…

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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) 0.91 4.64 -42.8 3 4 1 58 209.317 3 ↓

Analogs

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Popular Name: 3-(4-propyl-4-piperidyl)-1H-1,2,4-triazol-5-amine 3-(4-propyl-4-piperidyl)-1H-1,2,…

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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) 0.62 4.56 -43.58 5 5 1 84 210.305 3 ↓

Analogs

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Popular Name: 3-(4-ethyl-4-piperidyl)-1H-1,2,4-triazol-5-amine 3-(4-ethyl-4-piperidyl)-1H-1,2,4…

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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) 0.06 3.81 -43.44 5 5 1 84 196.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-isopropyl-1H-1,2,4-triazol-3-yl)-4-propyl-piperidine 4-(5-isopropyl-1H-1,2,4-triazol-…

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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) 1.96 5.92 -42.59 3 4 1 58 237.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-4-(5-isopropyl-1H-1,2,4-triazol-3-yl)piperidine 4-ethyl-4-(5-isopropyl-1H-1,2,4-…

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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) 1.40 5.17 -42.36 3 4 1 58 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine 4-propyl-4-(5-propyl-1H-1,2,4-tr…

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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) 1.98 6.16 -42.8 3 4 1 58 237.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)piperidine 4-ethyl-4-(5-propyl-1H-1,2,4-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) 1.42 5.41 -42.62 3 4 1 58 223.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-4-(1H-1,2,4-triazol-3-yl)piperidine 4-propyl-4-(1H-1,2,4-triazol-3-y…

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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) 0.81 4.75 -43.92 3 4 1 58 195.29 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-4-(1H-1,2,4-triazol-3-yl)piperidine 4-ethyl-4-(1H-1,2,4-triazol-3-yl…

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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) 0.25 4 -43.67 3 4 1 58 181.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4H-1,2,4-triazol-3-yl)piperidine 4-(4H-1,2,4-triazol-3-yl)piperidine

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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) -0.70 2.92 -42.8 3 4 1 58 153.209 1 ↓

Parameters Provided:

ring.id = 21672
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 = 21672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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