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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-(1H-imidazol-5-ylmethyl)cyclopentanamine N-(1H-imidazol-5-ylmethyl)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) 1.12 4.75 -35.37 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 1.12 3.53 -7.05 2 3 0 41 165.24 3 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-1-methyl-cyclopentanamine N-(1H-imidazol-5-ylmethyl)-1-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) 1.57 5.1 -33.12 3 3 1 45 180.275 3 ↓
Hi High (pH 8-9.5) 1.57 3.89 -5.67 2 3 0 41 179.267 3 ↓

Analogs

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Popular Name: (1S,2R)-N-(1H-imidazol-5-ylmethyl)-2-methoxy-cyclopentanamine (1S,2R)-N-(1H-imidazol-5-ylmethy…

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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) 0.59 4.23 -32.42 3 4 1 55 196.274 4 ↓
Hi High (pH 8-9.5) 0.59 3.04 -7.29 2 4 0 50 195.266 4 ↓

Analogs

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Popular Name: (1S,2S)-N-(1H-imidazol-5-ylmethyl)-2-methoxy-cyclopentanamine (1S,2S)-N-(1H-imidazol-5-ylmethy…

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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) 0.59 3.76 -36.66 3 4 1 55 196.274 4 ↓
Hi High (pH 8-9.5) 0.59 2.54 -7.09 2 4 0 50 195.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(1H-imidazol-5-ylmethyl)-2-methoxy-cyclopentanamine (1R,2R)-N-(1H-imidazol-5-ylmethy…

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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) 0.59 3.71 -35.5 3 4 1 55 196.274 4 ↓
Hi High (pH 8-9.5) 0.59 2.57 -6.43 2 4 0 50 195.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(1H-imidazol-5-ylmethyl)-2-methoxy-cyclopentanamine (1R,2S)-N-(1H-imidazol-5-ylmethy…

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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) 0.59 4.23 -33.31 3 4 1 55 196.274 4 ↓
Hi High (pH 8-9.5) 0.59 3.09 -7.02 2 4 0 50 195.266 4 ↓

Analogs

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Popular Name: [1-(1H-imidazol-5-ylmethylamino)cyclopentyl]methanol [1-(1H-imidazol-5-ylmethylamino)…

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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) 0.56 1.86 -32.68 4 4 1 66 196.274 4 ↓
Hi High (pH 8-9.5) 0.56 0.63 -9.46 3 4 0 61 195.266 4 ↓

Analogs

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Popular Name: N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine N-[(4-methyl-1H-imidazol-5-yl)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) 1.35 5.28 -35.13 3 3 1 45 180.275 3 ↓
Hi High (pH 8-9.5) 1.35 4.06 -7.07 2 3 0 41 179.267 3 ↓
Lo Low (pH 4.5-6) 1.35 5.71 -100.39 4 3 2 47 181.283 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine 1-methyl-N-[(4-methyl-1H-imidazo…

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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) 1.79 5.63 -32.84 3 3 1 45 194.302 3 ↓
Hi High (pH 8-9.5) 1.79 4.44 -6.93 2 3 0 41 193.294 3 ↓
Lo Low (pH 4.5-6) 1.79 6.06 -98.47 4 3 2 47 195.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methoxy-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[(4-methyl-1…

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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) 0.81 4.77 -33.01 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 0.81 3.55 -8.38 2 4 0 50 209.293 4 ↓
Lo Low (pH 4.5-6) 0.81 5.2 -96.8 4 4 2 56 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methoxy-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[(4-methyl-1…

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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) 0.81 4.23 -35.77 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 0.81 3.09 -8.56 2 4 0 50 209.293 4 ↓
Lo Low (pH 4.5-6) 0.81 4.67 -102.74 4 4 2 56 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methoxy-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine (1R,2R)-2-methoxy-N-[(4-methyl-1…

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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) 0.81 4.3 -35.46 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 0.81 3.08 -7.41 2 4 0 50 209.293 4 ↓
Lo Low (pH 4.5-6) 0.81 4.73 -103.17 4 4 2 56 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methoxy-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine (1S,2R)-2-methoxy-N-[(4-methyl-1…

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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) 0.81 4.77 -31.98 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 0.81 3.63 -8.17 2 4 0 50 209.293 4 ↓
Lo Low (pH 4.5-6) 0.81 5.2 -96.84 4 4 2 56 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4-methyl-1H-imidazol-5-yl)methylamino]cyclopentyl]methanol [1-[(4-methyl-1H-imidazol-5-yl)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) 0.78 2.4 -32.16 4 4 1 66 210.301 4 ↓
Hi High (pH 8-9.5) 0.78 1.17 -9.41 3 4 0 61 209.293 4 ↓
Lo Low (pH 4.5-6) 0.78 2.83 -95.8 5 4 2 67 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopentanamine N-[(2-methyl-1H-imidazol-4-yl)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) 1.21 4.61 -35.41 3 3 1 45 180.275 3 ↓
Hi High (pH 8-9.5) 1.21 3.39 -7.13 2 3 0 41 179.267 3 ↓
Lo Low (pH 4.5-6) 1.21 5.05 -99.61 4 3 2 47 181.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopentanamine 1-methyl-N-[(2-methyl-1H-imidazo…

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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 4.95 -33.06 3 3 1 45 194.302 3 ↓
Hi High (pH 8-9.5) 1.66 3.76 -6.93 2 3 0 41 193.294 3 ↓
Lo Low (pH 4.5-6) 1.66 5.39 -97.7 4 3 2 47 195.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methoxy-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[(2-methyl-1…

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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) 0.68 4.09 -33.38 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 0.68 2.88 -8.43 2 4 0 50 209.293 4 ↓
Lo Low (pH 4.5-6) 0.68 4.53 -96.02 4 4 2 56 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methoxy-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[(2-methyl-1…

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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) 0.68 3.57 -36.21 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 0.68 2.42 -8.51 2 4 0 50 209.293 4 ↓
Lo Low (pH 4.5-6) 0.68 4.01 -102.18 4 4 2 56 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methoxy-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopentanamine (1R,2R)-2-methoxy-N-[(2-methyl-1…

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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) 0.68 3.62 -35.87 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 0.68 2.4 -7.43 2 4 0 50 209.293 4 ↓
Lo Low (pH 4.5-6) 0.68 4.06 -102.47 4 4 2 56 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methoxy-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopentanamine (1S,2R)-2-methoxy-N-[(2-methyl-1…

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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) 0.68 4.09 -32.46 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) 0.68 2.95 -8.24 2 4 0 50 209.293 4 ↓
Lo Low (pH 4.5-6) 0.68 4.53 -95.89 4 4 2 56 211.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2-methyl-1H-imidazol-4-yl)methylamino]cyclopentyl]methanol [1-[(2-methyl-1H-imidazol-4-yl)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) 0.65 1.72 -32.61 4 4 1 66 210.301 4 ↓
Hi High (pH 8-9.5) 0.65 0.48 -9.45 3 4 0 61 209.293 4 ↓
Lo Low (pH 4.5-6) 0.65 2.16 -95.11 5 4 2 67 211.309 4 ↓

Parameters Provided:

ring.id = 152469
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 = 152469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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