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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: (1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (1R)-N-[[(2R)-4-methylmorpholin-…

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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) 0.00 -0.29 -42.94 2 6 1 68 241.315 4 ↓
Hi High (pH 8-9.5) 0.00 -1.53 -9.1 1 6 0 63 240.307 4 ↓
Lo Low (pH 4.5-6) 0.00 0.89 -44.17 2 6 1 65 241.315 4 ↓

Analogs

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Popular Name: (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (1S)-N-[[(2R)-4-methylmorpholin-…

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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) 0.00 -0.29 -43.05 2 6 1 68 241.315 4 ↓
Hi High (pH 8-9.5) 0.00 -1.58 -7.61 1 6 0 63 240.307 4 ↓
Lo Low (pH 4.5-6) 0.00 0.85 -42.08 2 6 1 65 241.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (1R)-N-[[(2S)-4-methylmorpholin-…

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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) 0.00 -0.26 -42.92 2 6 1 68 241.315 4 ↓
Hi High (pH 8-9.5) 0.00 -1.43 -7.77 1 6 0 63 240.307 4 ↓
Lo Low (pH 4.5-6) 0.00 0.99 -42.08 2 6 1 65 241.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.00 -0.26 -42.8 2 6 1 68 241.315 4 ↓
Hi High (pH 8-9.5) 0.00 -1.46 -7.41 1 6 0 63 240.307 4 ↓
Lo Low (pH 4.5-6) 0.00 2.17 -106.44 3 6 2 69 242.323 4 ↓

Analogs

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Popular Name: (1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine (1R)-1-(3-ethyl-1,2,4-oxadiazol-…

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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) 0.57 0.32 -42.77 2 6 1 68 255.342 5 ↓
Hi High (pH 8-9.5) 0.57 -0.91 -8.78 1 6 0 63 254.334 5 ↓
Lo Low (pH 4.5-6) 0.57 2.74 -106.6 3 6 2 69 256.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine (1S)-1-(3-ethyl-1,2,4-oxadiazol-…

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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) 0.57 0.32 -42.82 2 6 1 68 255.342 5 ↓
Hi High (pH 8-9.5) 0.57 -0.96 -7.28 1 6 0 63 254.334 5 ↓
Lo Low (pH 4.5-6) 0.57 1.46 -41.7 2 6 1 65 255.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine (1R)-1-(3-ethyl-1,2,4-oxadiazol-…

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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) 0.57 0.35 -42.77 2 6 1 68 255.342 5 ↓
Hi High (pH 8-9.5) 0.57 -0.82 -7.52 1 6 0 63 254.334 5 ↓
Lo Low (pH 4.5-6) 0.57 2.77 -106.41 3 6 2 69 256.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine (1S)-1-(3-ethyl-1,2,4-oxadiazol-…

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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) 0.57 0.35 -42.56 2 6 1 68 255.342 5 ↓
Hi High (pH 8-9.5) 0.57 -0.84 -7.14 1 6 0 63 254.334 5 ↓
Lo Low (pH 4.5-6) 0.57 2.78 -106.33 3 6 2 69 256.35 5 ↓

Parameters Provided:

ring.id = 368734
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 = 368734 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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