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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[(1R)-1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1R)-1-(5-ethyl-2-methyl-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) -0.12 2.48 -45.37 2 5 1 51 224.332 3 ↓
Hi High (pH 8-9.5) -0.12 1.11 -8.09 1 5 0 46 223.324 3 ↓
Lo Low (pH 4.5-6) -0.12 3.37 -89.55 3 5 2 52 225.34 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1S)-1-(5-ethyl-2-methyl-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) -0.12 3.19 -43.69 2 5 1 51 224.332 3 ↓
Hi High (pH 8-9.5) -0.12 1.83 -7.63 1 5 0 46 223.324 3 ↓
Lo Low (pH 4.5-6) -0.12 3.43 -89.39 3 5 2 52 225.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperazine 1-[(5-ethyl-2-methyl-1,2,4-triaz…

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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) -0.68 2.16 -47.76 2 5 1 51 210.305 3 ↓
Hi High (pH 8-9.5) -0.68 0.8 -8.07 1 5 0 46 209.297 3 ↓
Lo Low (pH 4.5-6) -0.68 2.55 -89.94 3 5 2 52 211.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1R)-1-(2-methyl-5-propyl-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) 0.39 3.25 -45.19 2 5 1 51 238.359 4 ↓
Hi High (pH 8-9.5) 0.39 1.88 -7.9 1 5 0 46 237.351 4 ↓
Lo Low (pH 4.5-6) 0.39 4.14 -90.06 3 5 2 52 239.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1S)-1-(2-methyl-5-propyl-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) 0.39 3.95 -43.55 2 5 1 51 238.359 4 ↓
Hi High (pH 8-9.5) 0.39 2.6 -7.44 1 5 0 46 237.351 4 ↓
Lo Low (pH 4.5-6) 0.39 4.2 -89.84 3 5 2 52 239.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]piperazine 1-[(2-methyl-5-propyl-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) -0.17 2.93 -47.59 2 5 1 51 224.332 4 ↓
Hi High (pH 8-9.5) -0.17 1.57 -7.83 1 5 0 46 223.324 4 ↓
Lo Low (pH 4.5-6) -0.17 3.32 -90.46 3 5 2 52 225.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1R)-1-(5-isopropyl-2-methyl-…

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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) 0.37 2.92 -45.13 2 5 1 51 238.359 3 ↓
Hi High (pH 8-9.5) 0.37 1.56 -8.08 1 5 0 46 237.351 3 ↓
Lo Low (pH 4.5-6) 0.37 3.99 -88.98 3 5 2 52 239.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1S)-1-(5-isopropyl-2-methyl-…

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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) 0.37 3.63 -43.36 2 5 1 51 238.359 3 ↓
Hi High (pH 8-9.5) 0.37 2.28 -7.59 1 5 0 46 237.351 3 ↓
Lo Low (pH 4.5-6) 0.37 4.01 -88.82 3 5 2 52 239.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperazine 1-[(5-isopropyl-2-methyl-1,2,4-t…

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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) -0.19 2.6 -47.57 2 5 1 51 224.332 3 ↓
Hi High (pH 8-9.5) -0.19 1.25 -7.98 1 5 0 46 223.324 3 ↓
Lo Low (pH 4.5-6) -0.19 3.13 -89.31 3 5 2 52 225.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1S)-1-(5-tert-butyl-2-methyl…

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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) 1.03 3.52 -45.01 2 5 1 51 252.386 3 ↓
Hi High (pH 8-9.5) 1.03 2.15 -7.74 1 5 0 46 251.378 3 ↓
Lo Low (pH 4.5-6) 1.03 4.56 -89.17 3 5 2 52 253.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1R)-1-(5-tert-butyl-2-methyl…

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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) 1.03 3.5 -44.83 2 5 1 51 252.386 3 ↓
Hi High (pH 8-9.5) 1.03 2.14 -7.69 1 5 0 46 251.378 3 ↓
Lo Low (pH 4.5-6) 1.03 4.32 -87.88 3 5 2 52 253.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperazine 1-[(5-tert-butyl-2-methyl-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) 0.48 3.16 -47.17 2 5 1 51 238.359 3 ↓
Hi High (pH 8-9.5) 0.48 1.8 -7.83 1 5 0 46 237.351 3 ↓
Lo Low (pH 4.5-6) 0.48 3.61 -89.53 3 5 2 52 239.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1R)-1-(5-isobutyl-2-methyl-1…

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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) 0.63 3.75 -44.84 2 5 1 51 252.386 4 ↓
Hi High (pH 8-9.5) 0.63 2.34 -7.58 1 5 0 46 251.378 4 ↓
Lo Low (pH 4.5-6) 0.63 4.99 -90.42 3 5 2 52 253.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperazine 1-[(1S)-1-(5-isobutyl-2-methyl-1…

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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) 0.63 4.47 -43.27 2 5 1 51 252.386 4 ↓
Hi High (pH 8-9.5) 0.63 3.05 -7.28 1 5 0 46 251.378 4 ↓
Lo Low (pH 4.5-6) 0.63 5.01 -90.18 3 5 2 52 253.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)methyl]piperazine 1-[(5-isobutyl-2-methyl-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) 0.07 3.38 -47.13 2 5 1 51 238.359 4 ↓
Hi High (pH 8-9.5) 0.07 2.08 -7.48 1 5 0 46 237.351 4 ↓
Lo Low (pH 4.5-6) 0.07 3.66 -90.6 3 5 2 52 239.367 4 ↓

Parameters Provided:

ring.id = 143343
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 = 143343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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