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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[[(2S)-tetrah…

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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) 2.36 5.51 -32.99 2 3 1 34 242.383 4 ↓
Hi High (pH 8-9.5) 2.36 3.38 -3.78 1 3 0 33 241.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2R)-2-[[methyl-[[(2S)-tetrah…

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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) 2.36 5.35 -31.1 2 3 1 34 242.383 4 ↓
Hi High (pH 8-9.5) 2.36 3.33 -3.29 1 3 0 33 241.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[methyl-[…

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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) 2.37 6.1 -33.27 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.37 4.07 -2.63 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-methyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2S,4S)-4-methyl-2-[[methyl-[…

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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) 2.37 5.89 -33.31 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.37 3.78 -3.8 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-methyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1R,2S,4R)-4-methyl-2-[[methyl-[…

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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) 2.37 6.58 -29.32 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.37 5.06 -2.63 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-methyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1R,2S,4S)-4-methyl-2-[[methyl-[…

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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) 2.37 6.35 -29.37 2 3 1 34 256.41 4 ↓
Hi High (pH 8-9.5) 2.37 4.83 -2.53 1 3 0 33 255.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-ethyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[methyl-[[…

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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) 3.05 6.77 -33.25 2 3 1 34 270.437 5 ↓
Hi High (pH 8-9.5) 3.05 4.73 -2.6 1 3 0 33 269.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-ethyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[methyl-[[…

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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) 3.05 6.94 -28.97 2 3 1 34 270.437 5 ↓
Hi High (pH 8-9.5) 3.05 5.4 -2.4 1 3 0 33 269.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[methyl-[[…

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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) 3.05 6.61 -32.01 2 3 1 34 270.437 5 ↓
Hi High (pH 8-9.5) 3.05 4.54 -3.12 1 3 0 33 269.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[methyl-[[…

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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) 3.05 6.45 -35.85 2 3 1 34 270.437 5 ↓
Hi High (pH 8-9.5) 3.05 4.32 -3.62 1 3 0 33 269.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[methyl-[[(2S)-tet…

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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) 3.61 7.51 -33.24 2 3 1 34 284.464 6 ↓
Hi High (pH 8-9.5) 3.61 5.49 -2.53 1 3 0 33 283.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[methyl-[[(2S)-tet…

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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) 3.61 7.13 -31.62 2 3 1 34 284.464 6 ↓
Hi High (pH 8-9.5) 3.61 5.06 -2.99 1 3 0 33 283.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[methyl-[[(2S)-tet…

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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) 3.61 7.99 -29.53 2 3 1 34 284.464 6 ↓
Hi High (pH 8-9.5) 3.61 6.46 -2.5 1 3 0 33 283.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[[methyl-[[(2S)-tet…

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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) 3.61 7.15 -35.68 2 3 1 34 284.464 6 ↓
Hi High (pH 8-9.5) 3.61 5.1 -2.8 1 3 0 33 283.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[meth…

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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) 3.69 7.5 -33.52 2 3 1 34 298.491 5 ↓
Hi High (pH 8-9.5) 3.69 5.47 -2.38 1 3 0 33 297.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-tert-butyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1S,2S,4S)-4-tert-butyl-2-[[meth…

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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) 3.69 7.12 -31.9 2 3 1 34 298.491 5 ↓
Hi High (pH 8-9.5) 3.69 5.04 -2.78 1 3 0 33 297.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-tert-butyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1R,2S,4R)-4-tert-butyl-2-[[meth…

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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) 3.69 7.35 -32.79 2 3 1 34 298.491 5 ↓
Hi High (pH 8-9.5) 3.69 5.28 -2.91 1 3 0 33 297.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-tert-butyl-2-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanol (1R,2S,4S)-4-tert-butyl-2-[[meth…

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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) 3.69 7.2 -36.03 2 3 1 34 298.491 5 ↓
Hi High (pH 8-9.5) 3.69 5.08 -3.08 1 3 0 33 297.483 5 ↓

Analogs

48947438
48947438
48947439
48947439
42463792
42463792
42463791
42463791
42463767
42463767

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanamine 1-[[methyl-[[(2S)-tetrahydropyra…

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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) 2.61 4.36 -37 3 3 1 40 241.399 4 ↓
Mid Mid (pH 6-8) 2.61 6.7 -30.29 3 3 1 40 241.399 4 ↓

Analogs

48947438
48947438
48947439
48947439
42463792
42463792
42463791
42463791
42463767
42463767

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanamine 1-[[methyl-[[(2R)-tetrahydropyra…

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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) 2.61 4.41 -37.12 3 3 1 40 241.399 4 ↓
Mid Mid (pH 6-8) 2.61 6.67 -29.36 3 3 1 40 241.399 4 ↓

Analogs

67867387
67867387
67867388
67867388

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanamine 4-[[methyl-[[(2S)-tetrahydropyra…

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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) 1.40 6.23 -90.7 4 3 2 41 242.407 4 ↓

Analogs

67867387
67867387
67867388
67867388

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]methyl]cyclohexanamine 4-[[methyl-[[(2R)-tetrahydropyra…

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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) 1.40 5.91 -89.75 4 3 2 41 242.407 4 ↓

Parameters Provided:

ring.id = 111459
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 = 111459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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