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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: 2-[cyclopentyl-[(1-ethylimidazol-2-yl)methyl]amino]acetic 2-[cyclopentyl-[(1-ethylimidazol…

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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 8.96 -60.48 2 5 1 64 252.338 6 ↓
Hi High (pH 8-9.5) 0.01 6.97 -30.37 1 5 0 62 251.33 6 ↓
Hi High (pH 8-9.5) 0.01 6.82 -53.72 0 5 -1 61 250.322 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(1-ethylimidazol-2-yl)methyl]amino]ethanol 2-[cyclopentyl-[(1-ethylimidazol…

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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) 1.05 5.93 -96.03 3 4 2 44 239.363 6 ↓
Hi High (pH 8-9.5) 1.05 3.84 -5.93 1 4 0 41 237.347 6 ↓
Hi High (pH 8-9.5) 1.05 5.42 -28.27 2 4 1 43 238.355 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine N-[(1S)-1-(1-methylimidazol-2-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) 1.62 5.68 -34.93 2 3 1 34 194.302 3 ↓
Hi High (pH 8-9.5) 1.62 4.63 -6.38 1 3 0 30 193.294 3 ↓
Hi High (pH 8-9.5) 1.62 5.37 -27.23 2 3 1 31 194.302 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine N-[(1R)-1-(1-methylimidazol-2-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) 1.62 5.89 -34.21 2 3 1 34 194.302 3 ↓
Hi High (pH 8-9.5) 1.62 4.84 -6.58 1 3 0 30 193.294 3 ↓
Hi High (pH 8-9.5) 1.62 5.42 -26.22 2 3 1 31 194.302 3 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine (1R,2S)-2-methoxy-N-[(1S)-1-(1-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) 1.08 4.87 -26.61 2 4 1 40 224.328 4 ↓
Hi High (pH 8-9.5) 1.08 4.11 -8.32 1 4 0 39 223.32 4 ↓
Mid Mid (pH 6-8) 1.08 6.08 -95.13 3 4 2 45 225.336 4 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine (1R,2S)-2-methoxy-N-[(1R)-1-(1-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) 1.08 4.91 -25.74 2 4 1 40 224.328 4 ↓
Hi High (pH 8-9.5) 1.08 4.33 -8.56 1 4 0 39 223.32 4 ↓
Mid Mid (pH 6-8) 1.08 5.97 -95.3 3 4 2 45 225.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methoxy-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine (1S,2S)-2-methoxy-N-[(1S)-1-(1-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) 1.08 4.52 -29.24 2 4 1 40 224.328 4 ↓
Hi High (pH 8-9.5) 1.08 3.78 -7.05 1 4 0 39 223.32 4 ↓
Mid Mid (pH 6-8) 1.08 5.51 -102.32 3 4 2 45 225.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methoxy-N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine (1S,2S)-2-methoxy-N-[(1R)-1-(1-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) 1.08 4.52 -27.42 2 4 1 40 224.328 4 ↓
Hi High (pH 8-9.5) 1.08 3.85 -9.23 1 4 0 39 223.32 4 ↓
Mid Mid (pH 6-8) 1.08 5.51 -101.5 3 4 2 45 225.336 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-(1-methylimid…

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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) 1.27 5.77 -29.46 2 4 1 55 219.312 3 ↓
Hi High (pH 8-9.5) 1.27 5.03 -14.37 1 4 0 54 218.304 3 ↓
Lo Low (pH 4.5-6) 1.27 6.05 -37.63 2 4 1 58 219.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R)-1-(1-methylimid…

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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) 1.27 5.82 -29.51 2 4 1 55 219.312 3 ↓
Hi High (pH 8-9.5) 1.27 5.25 -14.74 1 4 0 54 218.304 3 ↓
Lo Low (pH 4.5-6) 1.27 6.24 -42.1 2 4 1 58 219.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1S)-1-(1-methylimid…

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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) 1.27 5.7 -35.42 2 4 1 55 219.312 3 ↓
Hi High (pH 8-9.5) 1.27 4.94 -10.79 1 4 0 54 218.304 3 ↓
Lo Low (pH 4.5-6) 1.27 6.06 -45.64 2 4 1 58 219.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(1-methylimidazol-2-yl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-(1-methylimid…

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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) 1.27 5.51 -33.4 2 4 1 55 219.312 3 ↓
Hi High (pH 8-9.5) 1.27 4.91 -10.55 1 4 0 54 218.304 3 ↓
Lo Low (pH 4.5-6) 1.27 5.85 -49.56 2 4 1 58 219.312 3 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine (1S,2R)-2-methyl-N-[(1S)-1-(1-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) 1.86 6.8 -33.49 2 3 1 34 208.329 3 ↓
Hi High (pH 8-9.5) 1.86 6.63 -25.76 2 3 1 31 208.329 3 ↓
Hi High (pH 8-9.5) 1.86 5.91 -6.24 1 3 0 30 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine (1S,2S)-2-methyl-N-[(1S)-1-(1-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) 1.86 6.48 -34.21 2 3 1 34 208.329 3 ↓
Hi High (pH 8-9.5) 1.86 6.14 -25.64 2 3 1 31 208.329 3 ↓
Hi High (pH 8-9.5) 1.86 5.43 -6.41 1 3 0 30 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine (1R,2R)-2-methyl-N-[(1S)-1-(1-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) 1.86 6.2 -34.69 2 3 1 34 208.329 3 ↓
Hi High (pH 8-9.5) 1.86 6.15 -25.65 2 3 1 31 208.329 3 ↓
Hi High (pH 8-9.5) 1.86 5.43 -6.48 1 3 0 30 207.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]cyclopentanamine (1R,2S)-2-methyl-N-[(1S)-1-(1-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) 1.86 6.6 -34.2 2 3 1 34 208.329 3 ↓
Hi High (pH 8-9.5) 1.86 6.05 -6.16 1 3 0 30 207.321 3 ↓
Hi High (pH 8-9.5) 1.86 6.77 -26.17 2 3 1 31 208.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(1-methylimidazol-2-yl)methyl]amino]acetic 2-[cyclopentyl-[(1-methylimidazo…

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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 8.03 -61.53 2 5 1 64 238.311 5 ↓
Hi High (pH 8-9.5) -0.36 5.93 -40.37 1 5 0 62 237.303 5 ↓
Hi High (pH 8-9.5) -0.36 5.25 -42.91 0 5 -1 61 236.295 5 ↓

Analogs

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Popular Name: 2-[(5-chloro-1-methyl-imidazol-2-yl)methyl-cyclopentyl-amino]acetic 2-[(5-chloro-1-methyl-imidazol-2…

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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) 0.44 7.71 -21.58 1 5 0 62 271.748 5 ↓
Hi High (pH 8-9.5) 0.44 5.61 -39.43 0 5 -1 61 270.74 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 151570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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