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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 0.55 6.38 -49.56 2 7 1 77 282.368 5 ↓
Hi High (pH 8-9.5) 0.55 5.65 -17.14 1 7 0 72 281.36 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.55 6.63 -51.13 2 7 1 77 282.368 5 ↓
Hi High (pH 8-9.5) 0.55 5.53 -15.98 1 7 0 72 281.36 5 ↓

Analogs

37989127
37989127

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Popular Name: 1-[4-[[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]-1-piperidyl]ethanone 1-[4-[[(1S)-1-(4-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) -0.54 5.52 -53.91 2 6 1 68 252.342 3 ↓
Hi High (pH 8-9.5) -0.54 4.7 -17.33 1 6 0 63 251.334 3 ↓

Analogs

37989127
37989127

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Popular Name: 1-[4-[[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]-1-piperidyl]ethanone 1-[4-[[(1R)-1-(4-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) -0.54 5.78 -54.12 2 6 1 68 252.342 3 ↓
Hi High (pH 8-9.5) -0.54 4.78 -18.6 1 6 0 63 251.334 3 ↓

Analogs

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

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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) -0.99 4.71 -47.23 2 7 1 71 295.411 5 ↓
Hi High (pH 8-9.5) -0.99 3.99 -17.81 1 7 0 66 294.403 5 ↓
Mid Mid (pH 6-8) -0.99 6.2 -49.15 2 7 1 67 295.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.99 4.97 -47.78 2 7 1 71 295.411 5 ↓
Hi High (pH 8-9.5) -0.99 3.97 -19.08 1 7 0 66 294.403 5 ↓
Mid Mid (pH 6-8) -0.99 6.17 -51.41 2 7 1 67 295.411 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[(1S)-1-(4-methyl-1,2,4-triazo…

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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) 0.26 5.55 -44.1 2 5 1 51 248.354 4 ↓
Hi High (pH 8-9.5) 0.26 4.83 -11.34 1 5 0 46 247.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[(1R)-1-(4-methyl-1,2,4-triazo…

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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) 0.26 5.8 -43.84 2 5 1 51 248.354 4 ↓
Hi High (pH 8-9.5) 0.26 4.8 -12.76 1 5 0 46 247.346 4 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(1S)-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) 1.78 8.56 -41.98 2 5 1 47 278.424 5 ↓
Lo Low (pH 4.5-6) 1.78 9.3 -109.65 3 5 2 52 279.432 5 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(1R)-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) 1.78 8.55 -44.23 2 5 1 47 278.424 5 ↓
Lo Low (pH 4.5-6) 1.78 9.54 -111.72 3 5 2 52 279.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]piperidine-1-carboxamide 4-[[(1S)-1-(4-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) -0.62 3.03 -50.58 4 7 1 94 253.33 3 ↓
Hi High (pH 8-9.5) -0.62 2.2 -15.41 3 7 0 89 252.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]piperidine-1-carboxamide 4-[[(1R)-1-(4-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) -0.62 3.28 -52.19 4 7 1 94 253.33 3 ↓
Hi High (pH 8-9.5) -0.62 2.28 -18.93 3 7 0 89 252.322 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1S)-1-(4-methyl-1,2,4-triazo…

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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 5.56 -43.99 2 5 1 51 292.329 5 ↓
Hi High (pH 8-9.5) 1.03 4.77 -10.77 1 5 0 46 291.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1R)-1-(4-methyl-1,2,4-triazo…

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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 5.83 -44.77 2 5 1 51 292.329 5 ↓
Hi High (pH 8-9.5) 1.03 4.83 -13.25 1 5 0 46 291.321 5 ↓

Analogs

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Popular Name: N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-propyl-piperidin-4-amine N-[(4,5-dimethyl-1,2,4-triazol-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) 0.51 6.62 -42.79 2 5 1 47 252.386 5 ↓
Mid Mid (pH 6-8) 0.51 7.81 -115.51 3 5 2 52 253.394 5 ↓

Analogs

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Popular Name: N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2,2,6,6-tetramethyl-piperidin-4-amine N-[[4-(2-methoxyethyl)-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) 0.90 5.4 -39.89 3 6 1 69 296.439 6 ↓
Lo Low (pH 4.5-6) 0.90 6.58 -111.03 4 6 2 73 297.447 6 ↓

Parameters Provided:

ring.id = 557939
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 = 557939 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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