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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-(2-thiomorpholinoethyl)cyclohexanamine N-(2-thiomorpholinoethyl)cyclohe…

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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) 2.42 5.45 -41.73 2 2 1 20 229.413 4 ↓
Lo Low (pH 4.5-6) 2.42 7.55 -121.76 3 2 2 21 230.421 4 ↓

Analogs

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Popular Name: 4-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine 4-methyl-N-(2-thiomorpholinoethy…

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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 5.85 -42.66 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.19 7.94 -123.62 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine (1S,2R)-2-methyl-N-(2-thiomorpho…

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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) 2.66 5.93 -41.4 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.66 8.03 -122.8 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine (1S,2S)-2-methyl-N-(2-thiomorpho…

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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) 2.66 6.12 -41.01 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.66 8.22 -122.13 3 2 2 21 244.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine (1R,2R)-2-methyl-N-(2-thiomorpho…

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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) 2.66 6.13 -40.93 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.66 8.22 -122.15 3 2 2 21 244.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine (1R,2S)-2-methyl-N-(2-thiomorpho…

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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) 2.66 5.93 -41.52 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.66 8.03 -122.8 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: (1S,3R)-3-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine (1S,3R)-3-methyl-N-(2-thiomorpho…

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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) 2.43 6.05 -42.35 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.43 8.15 -123.13 3 2 2 21 244.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine (1S,3S)-3-methyl-N-(2-thiomorpho…

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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) 2.43 5.83 -42.13 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.43 7.92 -123.13 3 2 2 21 244.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine (1R,3R)-3-methyl-N-(2-thiomorpho…

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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) 2.43 5.83 -42.21 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.43 7.92 -123.12 3 2 2 21 244.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-(2-thiomorpholinoethyl)cyclohexanamine (1R,3S)-3-methyl-N-(2-thiomorpho…

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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) 2.43 6.05 -42.36 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.43 8.15 -123.16 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: N-[(2S)-2-thiomorpholinopropyl]cyclohexanamine N-[(2S)-2-thiomorpholinopropyl]c…

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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) 2.75 6.61 -39.08 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.75 8.18 -121.91 3 2 2 21 244.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-thiomorpholinopropyl]cyclohexanamine N-[(2R)-2-thiomorpholinopropyl]c…

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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) 2.75 6.42 -39.41 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.75 8.16 -121.78 3 2 2 21 244.448 4 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-methylthiomorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(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) 2.75 5.99 -41.86 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.75 8.01 -119.67 3 2 2 21 244.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-methylthiomorpholin-4-yl]ethyl]cyclohexanamine N-[2-[(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) 2.75 5.98 -41.8 2 2 1 20 243.44 4 ↓
Lo Low (pH 4.5-6) 2.75 8 -119.66 3 2 2 21 244.448 4 ↓

Parameters Provided:

ring.id = 46578
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 = 46578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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