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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: (2R,3S)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2R,3S)-N-[(3-isopropyl-1,2,4-ox…

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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 4.68 -49.48 2 6 1 73 278.38 6 ↓
Hi High (pH 8-9.5) 1.78 3.71 -8.59 1 6 0 69 277.372 6 ↓

Analogs

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Popular Name: (2R,3R)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2R,3R)-N-[(3-isopropyl-1,2,4-ox…

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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 4.16 -48.57 2 6 1 73 278.38 6 ↓
Hi High (pH 8-9.5) 1.78 3.06 -9.2 1 6 0 69 277.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2S,3S)-N-[(3-isopropyl-1,2,4-ox…

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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 4.19 -48.89 2 6 1 73 278.38 6 ↓
Hi High (pH 8-9.5) 1.78 3.16 -8.4 1 6 0 69 277.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2S,3R)-N-[(3-isopropyl-1,2,4-ox…

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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 4.69 -49.51 2 6 1 73 278.38 6 ↓
Hi High (pH 8-9.5) 1.78 3.49 -9.45 1 6 0 69 277.372 6 ↓

Analogs

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Popular Name: (2R,3S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2R,3S)-N-[[3-(2-methoxyethyl)-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) 0.90 3.31 -51.19 2 7 1 83 294.379 8 ↓
Hi High (pH 8-9.5) 0.90 2.33 -8.82 1 7 0 78 293.371 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2R,3R)-N-[[3-(2-methoxyethyl)-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) 0.90 2.78 -50.47 2 7 1 83 294.379 8 ↓
Hi High (pH 8-9.5) 0.90 1.68 -9.41 1 7 0 78 293.371 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2S,3S)-N-[[3-(2-methoxyethyl)-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) 0.90 2.82 -50.55 2 7 1 83 294.379 8 ↓
Hi High (pH 8-9.5) 0.90 1.78 -8.51 1 7 0 78 293.371 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (2S,3R)-N-[[3-(2-methoxyethyl)-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) 0.90 3.32 -51.37 2 7 1 83 294.379 8 ↓
Hi High (pH 8-9.5) 0.90 2.11 -9.81 1 7 0 78 293.371 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(3-isopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3R)-N-[(3-isopentyl-1,2,4-ox…

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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) 2.19 5.63 -49.91 2 6 1 73 292.407 8 ↓
Hi High (pH 8-9.5) 2.19 4.44 -9.37 1 6 0 69 291.399 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-[(3-isopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3R)-N-[(3-isopentyl-1,2,4-ox…

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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) 2.19 5.1 -48.96 2 6 1 73 292.407 8 ↓
Hi High (pH 8-9.5) 2.19 3.99 -9.03 1 6 0 69 291.399 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[(3-isopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3S)-N-[(3-isopentyl-1,2,4-ox…

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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) 2.19 5.14 -49.22 2 6 1 73 292.407 8 ↓
Hi High (pH 8-9.5) 2.19 4.11 -8.16 1 6 0 69 291.399 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-N-[(3-isopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3S)-N-[(3-isopentyl-1,2,4-ox…

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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) 2.19 5.62 -49.87 2 6 1 73 292.407 8 ↓
Hi High (pH 8-9.5) 2.19 4.64 -8.39 1 6 0 69 291.399 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3R)-N-[(3-butyl-1,2,4-oxadia…

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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 5.12 -49.91 2 6 1 73 278.38 8 ↓
Hi High (pH 8-9.5) 1.98 4.14 -8.55 1 6 0 69 277.372 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3R)-N-[(3-butyl-1,2,4-oxadia…

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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 4.58 -48.99 2 6 1 73 278.38 8 ↓
Hi High (pH 8-9.5) 1.98 3.5 -8.33 1 6 0 69 277.372 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3S)-N-[(3-butyl-1,2,4-oxadia…

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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 4.64 -49.19 2 6 1 73 278.38 8 ↓
Hi High (pH 8-9.5) 1.98 3.55 -9.09 1 6 0 69 277.372 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3S)-N-[(3-butyl-1,2,4-oxadia…

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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 5.12 -49.83 2 6 1 73 278.38 8 ↓
Hi High (pH 8-9.5) 1.98 3.91 -9.61 1 6 0 69 277.372 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3R)-N-[[3-(2-methoxyethyl)-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) 0.52 2.64 -51.57 2 7 1 83 280.352 8 ↓
Hi High (pH 8-9.5) 0.52 1.43 -10.07 1 7 0 78 279.344 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3R)-N-[[3-(2-methoxyethyl)-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) 0.52 2.09 -50.52 2 7 1 83 280.352 8 ↓
Hi High (pH 8-9.5) 0.52 0.99 -9.62 1 7 0 78 279.344 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-yl-butan-2-amine (2S,3S)-N-[[3-(2-methoxyethyl)-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) 0.52 2.15 -50.68 2 7 1 83 280.352 8 ↓
Hi High (pH 8-9.5) 0.52 1.11 -8.73 1 7 0 78 279.344 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-yl-butan-2-amine (2R,3S)-N-[[3-(2-methoxyethyl)-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) 0.52 2.62 -51.31 2 7 1 83 280.352 8 ↓
Hi High (pH 8-9.5) 0.52 1.64 -9.04 1 7 0 78 279.344 8 ↓

Analogs

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Popular Name: (1R)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (1R)-1-(3-isopropyl-1,2,4-oxadia…

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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) 1.27 3.23 -47.47 2 6 1 73 250.326 6 ↓
Hi High (pH 8-9.5) 1.27 2.06 -10.33 1 6 0 69 249.318 6 ↓

Analogs

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Popular Name: (1S)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (1S)-1-(3-isopropyl-1,2,4-oxadia…

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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) 1.27 3.23 -47.46 2 6 1 73 250.326 6 ↓
Hi High (pH 8-9.5) 1.27 2.01 -8.68 1 6 0 69 249.318 6 ↓

Analogs

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Popular Name: N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-yl-ethanamine N-[(3-ethyl-1,2,4-oxadiazol-5-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) 0.22 2.32 -51.09 2 6 1 73 222.272 6 ↓
Hi High (pH 8-9.5) 0.22 0.96 -9.98 1 6 0 69 221.264 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine N-[(3-methyl-1,2,4-oxadiazol-5-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) 0.03 2.37 -51.19 2 6 1 73 222.272 5 ↓
Hi High (pH 8-9.5) 0.03 1.01 -9.46 1 6 0 69 221.264 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine N-[[3-(2-methoxyethyl)-1,2,4-oxa…

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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) 0.21 2.06 -52.55 2 7 1 83 266.325 8 ↓
Hi High (pH 8-9.5) 0.21 0.7 -9.14 1 7 0 78 265.317 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-yl-ethanamine N-[(3-methyl-1,2,4-oxadiazol-5-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) -0.35 1.7 -51.32 2 6 1 73 208.245 5 ↓
Hi High (pH 8-9.5) -0.35 0.34 -10.3 1 6 0 69 207.237 5 ↓

Parameters Provided:

ring.id = 365189
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 = 365189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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