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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,2R)-2-[(3-methylisoxazol-5-yl)methylamino]cyclopentanecarbonitrile (1S,2R)-2-[(3-methylisoxazol-5-y…

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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) 1.49 5.32 -50.46 2 4 1 66 206.269 3 ↓
Mid Mid (pH 6-8) 1.49 4.13 -12.6 1 4 0 62 205.261 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[(3-methylisoxazol-5-yl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(3-methylisoxazol-5-y…

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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) 1.49 5.11 -56.14 2 4 1 66 206.269 3 ↓
Mid Mid (pH 6-8) 1.49 3.94 -12.8 1 4 0 62 205.261 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[(3-methylisoxazol-5-yl)methylamino]cyclopentanecarbonitrile (1R,2R)-2-[(3-methylisoxazol-5-y…

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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) 1.49 5.17 -55.68 2 4 1 66 206.269 3 ↓
Mid Mid (pH 6-8) 1.49 3.94 -9.84 1 4 0 62 205.261 3 ↓

Analogs

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Popular Name: (1R,2S)-2-[(3-methylisoxazol-5-yl)methylamino]cyclopentanecarbonitrile (1R,2S)-2-[(3-methylisoxazol-5-y…

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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) 1.49 5.28 -50.44 2 4 1 66 206.269 3 ↓
Mid Mid (pH 6-8) 1.49 4.32 -12.97 1 4 0 62 205.261 3 ↓

Analogs

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Popular Name: N-methyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]cyclopentanamine N-methyl-N-[[3-(methylaminomethy…

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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) 1.66 6.01 -96.67 3 4 2 47 225.336 5 ↓
Hi High (pH 8-9.5) 1.66 4.56 -39.11 2 4 1 42 224.328 5 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-methyl-cyclopentanamine N-[[3-(ethylaminomethyl)isoxazol…

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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) 2.04 6.87 -96.66 3 4 2 47 239.363 6 ↓
Hi High (pH 8-9.5) 2.04 5.49 -38.96 2 4 1 42 238.355 6 ↓

Analogs

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Popular Name: N-methyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]cyclopentanamine N-methyl-N-[[3-(propylaminomethy…

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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) 2.54 7.62 -98.08 3 4 2 47 253.39 7 ↓

Analogs

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Popular Name: N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-cyclopentanamine N-[[3-[(isopropylamino)methyl]is…

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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) 2.34 7.39 -96.01 3 4 2 47 253.39 6 ↓
Hi High (pH 8-9.5) 2.34 6.17 -38.72 2 4 1 42 252.382 6 ↓

Analogs

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Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-cyclopentanamine N-[[3-[(tert-butylamino)methyl]i…

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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) 2.85 7.82 -94.13 3 4 2 47 267.417 6 ↓
Hi High (pH 8-9.5) 2.85 6.58 -38.71 2 4 1 42 266.409 6 ↓

Analogs

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Popular Name: N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-cyclopentanamine N-[[3-[(isobutylamino)methyl]iso…

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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) 2.78 8.32 -98.87 3 4 2 47 267.417 7 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-methyl-cyclopentanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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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) 1.29 4.14 -101.65 4 4 2 58 211.309 4 ↓
Hi High (pH 8-9.5) 1.29 3.74 -41.32 3 4 1 56 210.301 4 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]cyclopentanamine N-ethyl-N-[[3-(methylaminomethyl…

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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) 2.04 6.37 -94.15 3 4 2 47 239.363 6 ↓
Hi High (pH 8-9.5) 2.04 4.92 -38.86 2 4 1 42 238.355 6 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]cyclopentanamine N-ethyl-N-[[3-(ethylaminomethyl)…

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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) 2.41 7.23 -94.18 3 4 2 47 253.39 7 ↓
Hi High (pH 8-9.5) 2.41 5.85 -36.83 2 4 1 42 252.382 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]cyclopentanamine N-ethyl-N-[[3-(propylaminomethyl…

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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) 2.92 7.98 -95.54 3 4 2 47 267.417 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]cyclopentanamine N-ethyl-N-[[3-[(isopropylamino)m…

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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) 2.71 7.75 -93.5 3 4 2 47 267.417 7 ↓
Hi High (pH 8-9.5) 2.71 6.53 -38.75 2 4 1 42 266.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-ethyl-cyclopentanamine N-[[3-[(tert-butylamino)methyl]i…

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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) 3.22 8.17 -91.69 3 4 2 47 281.444 7 ↓
Hi High (pH 8-9.5) 3.22 6.94 -38.52 2 4 1 42 280.436 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]cyclopentanamine N-ethyl-N-[[3-[(isobutylamino)me…

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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) 3.16 8.67 -96 3 4 2 47 281.444 8 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-ethyl-cyclopentanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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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) 1.66 4.5 -99.22 4 4 2 58 225.336 5 ↓
Hi High (pH 8-9.5) 1.66 4.09 -39.05 3 4 1 56 224.328 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3-methylisoxazol-5-yl)methyl]amino]acetic 2-[cyclopentyl-[(3-methylisoxazo…

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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) 0.42 7.19 -38.98 1 5 0 71 238.287 5 ↓

Analogs

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Popular Name: 5-[[(2-amino-2-oxo-ethyl)-cyclopentyl-amino]methyl]isoxazole-3-carboxylic 5-[[(2-amino-2-oxo-ethyl)-cyclop…

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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) 0.41 3.29 -57.58 3 7 0 114 267.285 6 ↓
Hi High (pH 8-9.5) 0.41 1.12 -46.39 2 7 -1 112 266.277 6 ↓

Parameters Provided:

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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 = 41747 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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