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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: (1S,3R)-3-amino-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1S,3R)-3-amino-N-[[(2R)-1,4-dio…

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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 0.33 -46.34 4 5 1 75 243.327 3 ↓

Analogs

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Popular Name: (1R,3R)-3-amino-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1R,3R)-3-amino-N-[[(2R)-1,4-dio…

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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 0.15 -40.96 4 5 1 75 243.327 3 ↓

Analogs

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Popular Name: (1S,3S)-3-amino-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1S,3S)-3-amino-N-[[(2R)-1,4-dio…

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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 0.15 -40.97 4 5 1 75 243.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-amino-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1R,3S)-3-amino-N-[[(2R)-1,4-dio…

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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 0.33 -46.64 4 5 1 75 243.327 3 ↓

Analogs

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Popular Name: (1R,3S)-3-(aminomethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1R,3S)-3-(aminomethyl)-N-[[(2R)…

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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) -0.23 1.09 -49.32 4 5 1 75 257.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-(aminomethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1R,3R)-3-(aminomethyl)-N-[[(2R)…

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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) -0.23 0.93 -41.86 4 5 1 75 257.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-(aminomethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1S,3S)-3-(aminomethyl)-N-[[(2R)…

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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) -0.23 0.93 -42.26 4 5 1 75 257.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-(aminomethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1S,3R)-3-(aminomethyl)-N-[[(2R)…

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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) -0.23 1.09 -49 4 5 1 75 257.354 4 ↓

Analogs

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Popular Name: (1R,3S)-3-(2-aminoethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1R,3S)-3-(2-aminoethyl)-N-[[(2R…

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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) 0.22 1.7 -48.44 4 5 1 75 271.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-(2-aminoethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1R,3R)-3-(2-aminoethyl)-N-[[(2R…

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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) 0.22 1.53 -43.45 4 5 1 75 271.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-(2-aminoethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1S,3S)-3-(2-aminoethyl)-N-[[(2R…

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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) 0.22 1.53 -43.68 4 5 1 75 271.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-(2-aminoethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclohexanecarboxamide (1S,3R)-3-(2-aminoethyl)-N-[[(2R…

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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) 0.22 1.7 -48.18 4 5 1 75 271.381 5 ↓

Parameters Provided:

ring.id = 396209
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 = 396209 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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