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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-[4-[(cyclopentylamino)methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[(cyclopentylamino)methyl]t…

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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) 2.03 7.02 -39.72 2 4 1 50 268.406 5 ↓

Analogs

246273
246273

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Popular Name: 4-[[cyclopentyl(methyl)amino]methyl]thiazol-2-amine 4-[[cyclopentyl(methyl)amino]met…

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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) 1.92 5.04 -31.7 3 3 1 43 212.342 3 ↓
Hi High (pH 8-9.5) 1.92 2.76 -5.11 2 3 0 42 211.334 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[(2-methylthiazol-4-yl)methylamino]cyclopentanecarbonitrile (1S,2R)-2-[(2-methylthiazol-4-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) 1.43 5.32 -41.32 2 3 1 53 222.337 3 ↓
Mid Mid (pH 6-8) 1.43 4.14 -10.06 1 3 0 49 221.329 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[(2-methylthiazol-4-yl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(2-methylthiazol-4-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) 1.43 5.11 -46.89 2 3 1 53 222.337 3 ↓
Mid Mid (pH 6-8) 1.43 3.94 -10.44 1 3 0 49 221.329 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[(2-methylthiazol-4-yl)methylamino]cyclopentanecarbonitrile (1R,2R)-2-[(2-methylthiazol-4-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) 1.43 5.17 -46.04 2 3 1 53 222.337 3 ↓
Mid Mid (pH 6-8) 1.43 3.95 -7.66 1 3 0 49 221.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(2-methylthiazol-4-yl)methylamino]cyclopentanecarbonitrile (1R,2S)-2-[(2-methylthiazol-4-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) 1.43 5.28 -40.87 2 3 1 53 222.337 3 ↓
Mid Mid (pH 6-8) 1.43 4.32 -9.89 1 3 0 49 221.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]cyclopentanamine N-methyl-N-[[2-(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) 1.60 5.99 -88.3 3 3 2 34 241.404 5 ↓
Hi High (pH 8-9.5) 1.60 4.55 -32.18 2 3 1 29 240.396 5 ↓
Hi High (pH 8-9.5) 1.60 2.28 -5.04 1 3 0 28 239.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]-N-methyl-cyclopentanamine N-[[2-(ethylaminomethyl)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) 1.98 6.85 -87.83 3 3 2 34 255.431 6 ↓
Hi High (pH 8-9.5) 1.98 5.48 -31.94 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.98 3.22 -4.78 1 3 0 28 253.415 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cyclopentanamine N-methyl-N-[[2-(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) 2.48 7.61 -89.32 3 3 2 34 269.458 7 ↓
Hi High (pH 8-9.5) 2.48 6.24 -31.92 2 3 1 29 268.45 7 ↓
Hi High (pH 8-9.5) 2.48 3.98 -4.63 1 3 0 28 267.442 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cyclopentanamine N-[[2-[(isopropylamino)methyl]th…

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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) 2.27 7.39 -86.77 3 3 2 34 269.458 6 ↓
Hi High (pH 8-9.5) 2.27 6.15 -31.81 2 3 1 29 268.45 6 ↓
Hi High (pH 8-9.5) 2.27 3.89 -4.71 1 3 0 28 267.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cyclopentanamine N-[[2-[(tert-butylamino)methyl]t…

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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) 2.79 7.81 -85.4 3 3 2 34 283.485 6 ↓
Hi High (pH 8-9.5) 2.79 6.56 -31.58 2 3 1 29 282.477 6 ↓
Hi High (pH 8-9.5) 2.79 4.3 -4.48 1 3 0 28 281.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cyclopentanamine N-[[2-[(isobutylamino)methyl]thi…

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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) 2.72 8.3 -89.79 3 3 2 34 283.485 7 ↓
Hi High (pH 8-9.5) 2.72 6.93 -31.81 2 3 1 29 282.477 7 ↓
Hi High (pH 8-9.5) 2.72 4.81 -4.45 1 3 0 28 281.469 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-methyl-cyclopentanamine N-[[2-(aminomethyl)thiazol-4-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) 1.23 4.13 -93.48 4 3 2 45 227.377 4 ↓
Hi High (pH 8-9.5) 1.23 1.45 -5.42 2 3 0 42 225.361 4 ↓
Mid Mid (pH 6-8) 1.23 3.72 -32.34 3 3 1 43 226.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]cyclopentanamine N-ethyl-N-[[2-(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) 1.98 6.68 -87.95 3 3 2 34 255.431 6 ↓
Hi High (pH 8-9.5) 1.98 5.23 -30.27 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.98 3.16 -3.09 1 3 0 28 253.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]cyclopentanamine N-ethyl-N-[[2-(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) 2.35 7.52 -87.44 3 3 2 34 269.458 7 ↓
Hi High (pH 8-9.5) 2.35 6.15 -29.71 2 3 1 29 268.45 7 ↓
Hi High (pH 8-9.5) 2.35 4.12 -3.79 1 3 0 28 267.442 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cyclopentanamine N-ethyl-N-[[2-(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) 2.86 8.27 -89 3 3 2 34 283.485 8 ↓
Hi High (pH 8-9.5) 2.86 4.89 -3.67 1 3 0 28 281.469 8 ↓
Hi High (pH 8-9.5) 2.86 6.91 -29.69 2 3 1 29 282.477 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]cyclopentanamine N-ethyl-N-[[2-[(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) 2.65 8.06 -86.52 3 3 2 34 283.485 7 ↓
Hi High (pH 8-9.5) 2.65 4.77 -2.73 1 3 0 28 281.469 7 ↓
Hi High (pH 8-9.5) 2.65 6.84 -30.05 2 3 1 29 282.477 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-ethyl-cyclopentanamine N-[[2-[(tert-butylamino)methyl]t…

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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 8.49 -85.15 3 3 2 34 297.512 7 ↓
Hi High (pH 8-9.5) 3.16 7.24 -29.86 2 3 1 29 296.504 7 ↓
Hi High (pH 8-9.5) 3.16 5.17 -2.61 1 3 0 28 295.496 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]cyclopentanamine N-ethyl-N-[[2-[(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) 3.10 8.98 -89.55 3 3 2 34 297.512 8 ↓
Hi High (pH 8-9.5) 3.10 7.61 -30.07 2 3 1 29 296.504 8 ↓
Hi High (pH 8-9.5) 3.10 5.54 -2.71 1 3 0 28 295.496 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-ethyl-cyclopentanamine N-[[2-(aminomethyl)thiazol-4-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) 1.60 4.81 -93.21 4 3 2 45 241.404 5 ↓
Hi High (pH 8-9.5) 1.60 2.33 -4.46 2 3 0 42 239.388 5 ↓
Mid Mid (pH 6-8) 1.60 4.4 -30.39 3 3 1 43 240.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethylthiazol-4-yl)methyl]cyclopentanamine N-[(2-ethylthiazol-4-yl)methyl]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) 2.35 5.7 -35.15 2 2 1 29 211.354 4 ↓
Hi High (pH 8-9.5) 2.35 4.48 -4.69 1 2 0 25 210.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(2-isopropylthiazol-4-yl)methyl]amino]acetic 2-[cyclopentyl-[(2-isopropylthia…

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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) 1.41 8.42 -22.78 1 4 0 57 282.409 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(2-methylthiazol-4-yl)methyl]amino]acetic 2-[cyclopentyl-[(2-methylthiazol…

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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) 0.36 7.05 -23.61 1 4 0 57 254.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-tert-butylthiazol-4-yl)methyl-cyclopentyl-amino]acetic 2-[(2-tert-butylthiazol-4-yl)met…

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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) 2.08 8.9 -22.76 1 4 0 57 296.436 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(2-propylthiazol-4-yl)methyl]amino]acetic 2-[cyclopentyl-[(2-propylthiazol…

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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) 1.43 8.57 -22.81 1 4 0 57 282.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(2-ethylthiazol-4-yl)methyl]amino]acetic 2-[cyclopentyl-[(2-ethylthiazol-…

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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 8.14 -35.14 1 4 0 57 268.382 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-acetamidothiazol-4-yl)methyl-cyclopentyl-amino]acetic 2-[(2-acetamidothiazol-4-yl)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) -0.01 6.32 -28.78 2 6 0 87 297.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2-amino-2-oxo-ethyl)-cyclopentyl-amino]methyl]thiazole-2-carboxylic 4-[[(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) 0.35 3.72 -67.73 3 6 0 101 283.353 6 ↓
Hi High (pH 8-9.5) 0.35 0.97 -50.31 2 6 -1 99 282.345 6 ↓

Parameters Provided:

ring.id = 8746
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 8746 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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