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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: N-methyl-1-[1-(2-thiomorpholinoethyl)triazol-4-yl]methanamine N-methyl-1-[1-(2-thiomorpholinoe…

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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 4.64 -100.77 3 5 2 52 243.38 5 ↓
Mid Mid (pH 6-8) 0.07 2.56 -44.94 2 5 1 51 242.372 5 ↓

Analogs

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Popular Name: N-[[1-(2-thiomorpholinoethyl)triazol-4-yl]methyl]ethanamine N-[[1-(2-thiomorpholinoethyl)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) 0.44 5.51 -100.59 3 5 2 52 257.407 6 ↓
Mid Mid (pH 6-8) 0.44 3.42 -44.23 2 5 1 51 256.399 6 ↓

Analogs

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Popular Name: N-[[1-(2-thiomorpholinoethyl)triazol-4-yl]methyl]propan-1-amine N-[[1-(2-thiomorpholinoethyl)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) 0.95 6.27 -101.89 3 5 2 52 271.434 7 ↓
Mid Mid (pH 6-8) 0.95 4.18 -45.08 2 5 1 51 270.426 7 ↓

Analogs

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Popular Name: N-[[1-(2-thiomorpholinoethyl)triazol-4-yl]methyl]propan-2-amine N-[[1-(2-thiomorpholinoethyl)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) 0.74 6.03 -99.17 3 5 2 52 271.434 6 ↓
Mid Mid (pH 6-8) 0.74 3.95 -42.26 2 5 1 51 270.426 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-(2-thiomorpholinoethyl)triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-(2-thiomorpholino…

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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) 1.25 6.45 -98.42 3 5 2 52 285.461 6 ↓
Mid Mid (pH 6-8) 1.25 4.37 -40.94 2 5 1 51 284.453 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-(2-thiomorpholinoethyl)triazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[1-(2-thiomorpholino…

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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) 1.19 6.96 -102.2 3 5 2 52 285.461 7 ↓
Mid Mid (pH 6-8) 1.19 4.87 -44.87 2 5 1 51 284.453 7 ↓

Analogs

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Popular Name: [1-(2-thiomorpholinoethyl)triazol-4-yl]methanamine [1-(2-thiomorpholinoethyl)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) -0.31 2.78 -105.46 4 5 2 63 229.353 4 ↓
Hi High (pH 8-9.5) -0.31 0.29 -8.89 2 5 0 60 227.337 4 ↓
Mid Mid (pH 6-8) -0.31 0.69 -50.09 3 5 1 62 228.345 4 ↓

Analogs

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Popular Name: [1-[2-[(3R)-3-methylthiomorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(3R)-3-methylthiomorpholi…

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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) 0.02 3.23 -103.53 4 5 2 63 243.38 4 ↓
Hi High (pH 8-9.5) 0.02 0.8 -8.69 2 5 0 60 241.364 4 ↓
Mid Mid (pH 6-8) 0.02 1.2 -49.95 3 5 1 62 242.372 4 ↓

Analogs

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Popular Name: [1-[2-[(3S)-3-methylthiomorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(3S)-3-methylthiomorpholi…

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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) 0.02 3.24 -103.47 4 5 2 63 243.38 4 ↓
Hi High (pH 8-9.5) 0.02 0.81 -8.87 2 5 0 60 241.364 4 ↓
Mid Mid (pH 6-8) 0.02 1.21 -50.23 3 5 1 62 242.372 4 ↓

Parameters Provided:

ring.id = 231044
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 = 231044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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