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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-[4-(thiomorpholinomethyl)thiazol-2-yl]methanamine N-methyl-1-[4-(thiomorpholinomet…

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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) 0.59 2.95 -40.11 2 3 1 33 244.409 4 ↓
Hi High (pH 8-9.5) 0.59 1.49 -5.95 1 3 0 28 243.401 4 ↓
Mid Mid (pH 6-8) 0.59 5.05 -93.35 3 3 2 34 245.417 4 ↓

Analogs

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Popular Name: N-[[4-(thiomorpholinomethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(thiomorpholinomethyl)thia…

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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) 0.96 3.81 -39.15 2 3 1 33 258.436 5 ↓
Hi High (pH 8-9.5) 0.96 2.42 -5.74 1 3 0 28 257.428 5 ↓
Mid Mid (pH 6-8) 0.96 5.91 -92.96 3 3 2 34 259.444 5 ↓

Analogs

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Popular Name: N-[[4-(thiomorpholinomethyl)thiazol-2-yl]methyl]propan-1-amine N-[[4-(thiomorpholinomethyl)thia…

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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) 1.47 4.55 -39.93 2 3 1 33 272.463 6 ↓
Hi High (pH 8-9.5) 1.47 3.19 -5.62 1 3 0 28 271.455 6 ↓
Mid Mid (pH 6-8) 1.47 6.67 -94.45 3 3 2 34 273.471 6 ↓

Analogs

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Popular Name: N-[[4-(thiomorpholinomethyl)thiazol-2-yl]methyl]propan-2-amine N-[[4-(thiomorpholinomethyl)thia…

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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) 1.26 4.34 -37.66 2 3 1 33 272.463 5 ↓
Hi High (pH 8-9.5) 1.26 3.12 -5.51 1 3 0 28 271.455 5 ↓
Mid Mid (pH 6-8) 1.26 6.43 -91.84 3 3 2 34 273.471 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-(thiomorpholinomethyl)thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[4-(thiomorpholinome…

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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) 1.77 4.77 -35.48 2 3 1 33 286.49 5 ↓
Hi High (pH 8-9.5) 1.77 3.51 -5.4 1 3 0 28 285.482 5 ↓
Mid Mid (pH 6-8) 1.77 6.88 -90.57 3 3 2 34 287.498 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-(thiomorpholinomethyl)thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[4-(thiomorpholinome…

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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 5.25 -39.74 2 3 1 33 286.49 6 ↓
Hi High (pH 8-9.5) 1.71 3.87 -5.44 1 3 0 28 285.482 6 ↓
Mid Mid (pH 6-8) 1.71 7.37 -94.95 3 3 2 34 287.498 6 ↓

Analogs

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Popular Name: [4-(thiomorpholinomethyl)thiazol-2-yl]methanamine [4-(thiomorpholinomethyl)thiazol…

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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 1.07 -45.57 3 3 1 44 230.382 3 ↓
Mid Mid (pH 6-8) 0.21 0.67 -6.33 2 3 0 42 229.374 3 ↓
Mid Mid (pH 6-8) 0.21 3.19 -98.5 4 3 2 45 231.39 3 ↓

Analogs

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Popular Name: 4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiazol-2-amine 4-[[(3R)-3-methylthiomorpholin-4…

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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) 1.23 2.48 -5.75 2 3 0 42 229.374 2 ↓
Mid Mid (pH 6-8) 1.23 3.25 -30.57 3 3 1 43 230.382 2 ↓
Mid Mid (pH 6-8) 1.23 4.54 -32.81 3 3 1 43 230.382 2 ↓

Analogs

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Popular Name: 4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiazol-2-amine 4-[[(3S)-3-methylthiomorpholin-4…

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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) 1.23 2.88 -5.53 2 3 0 42 229.374 2 ↓
Mid Mid (pH 6-8) 1.23 4.94 -32.48 3 3 1 43 230.382 2 ↓
Mid Mid (pH 6-8) 1.23 2.94 -30.59 3 3 1 43 230.382 2 ↓

Analogs

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Popular Name: 4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiazole-2-carboxylic 4-[[(3R)-3-methylthiomorpholin-4…

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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) 0.93 4.01 -47.94 0 4 -1 56 257.36 3 ↓
Mid Mid (pH 6-8) 0.93 6.06 -57.23 1 4 0 57 258.368 3 ↓

Analogs

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Popular Name: 4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiazole-2-carboxylic 4-[[(3S)-3-methylthiomorpholin-4…

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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) 0.93 4.43 -47.58 0 4 -1 56 257.36 3 ↓
Mid Mid (pH 6-8) 0.93 6.49 -56.65 1 4 0 57 258.368 3 ↓

Analogs

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Popular Name: N-methyl-1-[4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[(3R)-3-methylthi…

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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) 0.92 3.45 -39.97 2 3 1 33 258.436 4 ↓
Hi High (pH 8-9.5) 0.92 2.01 -4.57 1 3 0 28 257.428 4 ↓
Mid Mid (pH 6-8) 0.92 5.5 -91.18 3 3 2 34 259.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[[(3S)-3-methylthi…

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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) 0.92 3.83 -40.95 2 3 1 33 258.436 4 ↓
Hi High (pH 8-9.5) 0.92 2.38 -4.43 1 3 0 28 257.428 4 ↓
Mid Mid (pH 6-8) 0.92 5.88 -91.72 3 3 2 34 259.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiazol-2-yl]methanamine [4-[[(3R)-3-methylthiomorpholin-…

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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 1.58 -45.4 3 3 1 44 244.409 3 ↓
Mid Mid (pH 6-8) 0.54 1.17 -6.14 2 3 0 42 243.401 3 ↓
Mid Mid (pH 6-8) 0.54 3.62 -96.37 4 3 2 45 245.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiazol-2-yl]methanamine [4-[[(3S)-3-methylthiomorpholin-…

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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 1.95 -46.59 3 3 1 44 244.409 3 ↓
Mid Mid (pH 6-8) 0.54 1.55 -5.76 2 3 0 42 243.401 3 ↓
Mid Mid (pH 6-8) 0.54 4.01 -97.04 4 3 2 45 245.417 3 ↓

Analogs

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Popular Name: 4-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]thiazol-2-amine 4-[[(2S,6R)-2,6-dimethylthiomorp…

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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) 1.63 3.34 -6.1 2 3 0 42 243.401 2 ↓
Mid Mid (pH 6-8) 1.63 4.09 -31.27 3 3 1 43 244.409 2 ↓
Mid Mid (pH 6-8) 1.63 5.46 -34.81 3 3 1 43 244.409 2 ↓

Analogs

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Popular Name: 4-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]thiazol-2-amine 4-[[(2S,6S)-2,6-dimethylthiomorp…

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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) 1.63 3.82 -5.64 2 3 0 42 243.401 2 ↓
Mid Mid (pH 6-8) 1.63 4.57 -31.4 3 3 1 43 244.409 2 ↓
Mid Mid (pH 6-8) 1.63 5.52 -34.36 3 3 1 43 244.409 2 ↓

Analogs

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Popular Name: 4-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]thiazol-2-amine 4-[[(2R,6R)-2,6-dimethylthiomorp…

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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) 1.63 4.2 -5.39 2 3 0 42 243.401 2 ↓
Mid Mid (pH 6-8) 1.63 5.92 -34.42 3 3 1 43 244.409 2 ↓
Mid Mid (pH 6-8) 1.63 4.27 -31.37 3 3 1 43 244.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]thiazol-2-yl]methanamine [4-[[(2S,6R)-2,6-dimethylthiomor…

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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) 0.94 2.43 -45.76 3 3 1 44 258.436 3 ↓
Mid Mid (pH 6-8) 0.94 2.03 -6.5 2 3 0 42 257.428 3 ↓
Mid Mid (pH 6-8) 0.94 4.54 -99.07 4 3 2 45 259.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]thiazol-2-yl]methanamine [4-[[(2S,6S)-2,6-dimethylthiomor…

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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) 0.94 2.91 -45.76 3 3 1 44 258.436 3 ↓
Mid Mid (pH 6-8) 0.94 2.51 -5.99 2 3 0 42 257.428 3 ↓
Mid Mid (pH 6-8) 0.94 4.61 -98.35 4 3 2 45 259.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]thiazol-2-yl]methanamine [4-[[(2R,6R)-2,6-dimethylthiomor…

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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) 0.94 2.91 -45.89 3 3 1 44 258.436 3 ↓
Mid Mid (pH 6-8) 0.94 4.59 -98.46 4 3 2 45 259.444 3 ↓
Mid Mid (pH 6-8) 0.94 2.5 -5.74 2 3 0 42 257.428 3 ↓

Parameters Provided:

ring.id = 230942
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 = 230942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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