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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-piperidin-4-amine N-[(1-ethylimidazol-2-yl)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) 0.10 4.37 -80.86 3 4 2 39 224.352 4 ↓
Hi High (pH 8-9.5) 0.10 3.88 -44.42 2 4 1 38 223.344 4 ↓

Analogs

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Popular Name: N-ethyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine N-ethyl-N-[(1-ethylimidazol-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) 0.48 5.66 -85.48 3 4 2 39 238.379 5 ↓
Hi High (pH 8-9.5) 0.48 4.43 -45.39 2 4 1 38 237.371 5 ↓

Analogs

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Popular Name: N-[(1-ethylimidazol-2-yl)methyl]-N-propyl-piperidin-4-amine N-[(1-ethylimidazol-2-yl)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) 0.98 6.39 -86.09 3 4 2 39 252.406 6 ↓
Hi High (pH 8-9.5) 0.98 5.13 -45.83 2 4 1 38 251.398 6 ↓

Analogs

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Popular Name: 2-[(1-ethylimidazol-2-yl)methyl-(4-piperidyl)amino]acetamide 2-[(1-ethylimidazol-2-yl)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) -1.16 1.62 -83.1 5 6 2 82 267.377 6 ↓
Hi High (pH 8-9.5) -1.16 0.28 -43.7 4 6 1 81 266.369 6 ↓

Analogs

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Popular Name: 1-methyl-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine 1-methyl-N-[(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) 0.64 5.82 -79.63 3 4 2 36 224.352 3 ↓
Hi High (pH 8-9.5) 0.64 5.3 -37.76 2 4 1 34 223.344 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine 1-methyl-N-[(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) 0.64 5.98 -77.04 3 4 2 36 224.352 3 ↓
Hi High (pH 8-9.5) 0.64 5.18 -40.12 2 4 1 34 223.344 3 ↓

Analogs

44722750
44722750

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Popular Name: N-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-1-methyl-piperidin-4-amine N-[(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) 0.88 5.06 -39.29 2 4 1 34 243.762 3 ↓
Mid Mid (pH 6-8) 0.88 5.51 -80.01 3 4 2 36 244.77 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine 1-methyl-N-[(1-methylimidazol-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) 0.08 5.14 -77.02 3 4 2 36 210.325 3 ↓
Mid Mid (pH 6-8) 0.08 4.69 -39.76 2 4 1 34 209.317 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.33 5.99 -55.64 2 6 1 64 301.798 5 ↓
Hi High (pH 8-9.5) 1.33 4.81 -10.54 1 6 0 59 300.79 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.53 6.09 -119.96 3 6 2 65 268.361 5 ↓
Hi High (pH 8-9.5) 0.53 4.44 -11.74 1 6 0 59 266.345 5 ↓
Hi High (pH 8-9.5) 0.53 4.89 -36.11 2 6 1 61 267.353 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.09 5.69 -48.35 2 6 1 64 303.333 6 ↓
Hi High (pH 8-9.5) 1.09 4.56 -11.69 1 6 0 59 302.325 6 ↓

Analogs

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Popular Name: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propyl-piperidin-4-amine N-[[1-(difluoromethyl)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) 1.51 6.21 -37.69 2 4 1 34 273.351 6 ↓
Mid Mid (pH 6-8) 1.51 6.56 -81.39 3 4 2 36 274.359 6 ↓
Lo Low (pH 4.5-6) 1.51 7.34 -103.85 3 4 2 39 274.359 6 ↓

Parameters Provided:

ring.id = 151574
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 = 151574 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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