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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-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(2-thienylmethyl)methanamine 1-(4-methyl-1,2,5-oxadiazol-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) 1.71 2.56 -10.58 1 4 0 51 209.274 4 ↓
Mid Mid (pH 6-8) 1.71 3.91 -55.27 2 4 1 56 210.282 4 ↓

Analogs

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

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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) 2.27 3.24 -11.5 1 4 0 51 223.301 4 ↓
Mid Mid (pH 6-8) 2.27 4.44 -51.09 2 4 1 56 224.309 4 ↓

Analogs

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

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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) 2.27 3.21 -10.37 1 4 0 51 223.301 4 ↓
Mid Mid (pH 6-8) 2.27 4.43 -52.09 2 4 1 56 224.309 4 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(5-bromo-2-thienyl)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) 2.65 3.28 -10.99 1 4 0 51 288.17 4 ↓
Mid Mid (pH 6-8) 2.65 4.64 -60.24 2 4 1 56 289.178 4 ↓

Analogs

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

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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) 3.07 3.86 -12.15 1 4 0 51 257.746 4 ↓
Mid Mid (pH 6-8) 3.07 5.07 -55.29 2 4 1 56 258.754 4 ↓

Analogs

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

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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) 3.07 3.84 -11.06 1 4 0 51 257.746 4 ↓
Mid Mid (pH 6-8) 3.07 5.06 -56.54 2 4 1 56 258.754 4 ↓

Analogs

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

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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) 2.49 4.07 -11.72 1 4 0 51 237.328 4 ↓
Mid Mid (pH 6-8) 2.49 5.26 -50.97 2 4 1 56 238.336 4 ↓

Analogs

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

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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) 2.49 4.04 -10.44 1 4 0 51 237.328 4 ↓
Mid Mid (pH 6-8) 2.49 5.25 -51.96 2 4 1 56 238.336 4 ↓

Analogs

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Popular Name: (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-thienyl)propan-1-amine (1S)-N-[(4-methyl-1,2,5-oxadiazo…

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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) 2.77 3.85 -10.09 1 4 0 51 237.328 5 ↓
Mid Mid (pH 6-8) 2.77 5.29 -44.33 2 4 1 56 238.336 5 ↓

Analogs

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Popular Name: (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-thienyl)propan-1-amine (1R)-N-[(4-methyl-1,2,5-oxadiazo…

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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) 2.77 3.88 -11.46 1 4 0 51 237.328 5 ↓
Mid Mid (pH 6-8) 2.77 5.28 -49.77 2 4 1 56 238.336 5 ↓

Analogs

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Popular Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thienyl)methanamine N-[(4-methyl-1,2,5-oxadiazol-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) 1.94 3.39 -11.92 1 4 0 51 223.301 4 ↓
Mid Mid (pH 6-8) 1.94 4.74 -56.42 2 4 1 56 224.309 4 ↓

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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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 = 460112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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