UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-[2-[1-(2-methoxyethyl)-4-piperidyl]imidazol-1-yl]propan-1-ol (2S)-2-[2-[1-(2-methoxyethyl)-4-…

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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) 0.22 5 -87.74 3 5 2 53 269.389 6 ↓
Hi High (pH 8-9.5) 0.22 2.06 -8.56 1 5 0 51 267.373 6 ↓
Mid Mid (pH 6-8) 0.22 4.4 -38.17 2 5 1 52 268.381 6 ↓

Analogs

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Popular Name: (2R)-2-[2-[1-(2-methoxyethyl)-4-piperidyl]imidazol-1-yl]propan-1-ol (2R)-2-[2-[1-(2-methoxyethyl)-4-…

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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) 0.22 5 -87.73 3 5 2 53 269.389 6 ↓
Hi High (pH 8-9.5) 0.22 2.06 -8.61 1 5 0 51 267.373 6 ↓
Mid Mid (pH 6-8) 0.22 4.4 -38.19 2 5 1 52 268.381 6 ↓

Analogs

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Popular Name: 4-[4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine 4-[4-(trifluoromethyl)-1H-imidaz…

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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) 0.97 3.63 -47.09 3 3 1 45 220.218 2 ↓

Analogs

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Popular Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine 4-(4,5-dimethyl-1H-imidazol-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) 0.28 4.26 -89.9 4 3 2 47 181.283 1 ↓
Mid Mid (pH 6-8) 0.28 3.82 -46.74 3 3 1 45 180.275 1 ↓

Analogs

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Popular Name: 4-(4-ethyl-5-propyl-1H-imidazol-2-yl)piperidine 4-(4-ethyl-5-propyl-1H-imidazol-…

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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) 1.93 6.48 -91.6 4 3 2 47 223.364 4 ↓
Mid Mid (pH 6-8) 1.93 5.91 -45.87 3 3 1 45 222.356 4 ↓

Analogs

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Popular Name: 4-(5-tert-butyl-1H-imidazol-2-yl)piperidine 4-(5-tert-butyl-1H-imidazol-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) 1.78 5.47 -92.22 4 3 2 47 209.337 2 ↓
Mid Mid (pH 6-8) 1.78 5.21 -45.72 3 3 1 45 208.329 2 ↓
Mid Mid (pH 6-8) 1.78 5.02 -46.09 3 3 1 45 208.329 2 ↓

Analogs

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Popular Name: 4-(5-isopropyl-1H-imidazol-2-yl)piperidine 4-(5-isopropyl-1H-imidazol-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) 1.12 4.97 -91.84 4 3 2 47 195.31 2 ↓
Mid Mid (pH 6-8) 1.12 4.99 -91.95 4 3 2 47 195.31 2 ↓
Mid Mid (pH 6-8) 1.12 4.55 -46.4 3 3 1 45 194.302 2 ↓

Analogs

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Popular Name: 1-ethyl-4-(1-propylimidazol-2-yl)piperidin-4-ol 1-ethyl-4-(1-propylimidazol-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) 1.18 5.85 -35.75 2 4 1 42 238.355 4 ↓
Hi High (pH 8-9.5) 1.18 3.61 -5.12 1 4 0 41 237.347 4 ↓
Mid Mid (pH 6-8) 1.18 6.26 -86.5 3 4 2 44 239.363 4 ↓

Analogs

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Popular Name: 1-propyl-4-(1-propylimidazol-2-yl)piperidin-4-ol 1-propyl-4-(1-propylimidazol-2-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) 1.68 6.59 -36.39 2 4 1 42 252.382 5 ↓
Mid Mid (pH 6-8) 1.68 7.01 -88.02 3 4 2 44 253.39 5 ↓

Analogs

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Popular Name: 4-(1-ethylimidazol-2-yl)-1-propyl-piperidin-4-ol 4-(1-ethylimidazol-2-yl)-1-propy…

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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) 1.18 5.83 -35.92 2 4 1 42 238.355 4 ↓
Mid Mid (pH 6-8) 1.18 6.25 -86.96 3 4 2 44 239.363 4 ↓

Analogs

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Popular Name: 1-isopropyl-4-(1-propylimidazol-2-yl)piperidin-4-ol 1-isopropyl-4-(1-propylimidazol-…

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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) 1.48 6.37 -34.16 2 4 1 42 252.382 4 ↓
Hi High (pH 8-9.5) 1.48 4.16 -5.04 1 4 0 41 251.374 4 ↓
Mid Mid (pH 6-8) 1.48 6.79 -85.71 3 4 2 44 253.39 4 ↓

Analogs

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Popular Name: 4-(1-ethylimidazol-2-yl)-1-isopropyl-piperidin-4-ol 4-(1-ethylimidazol-2-yl)-1-isopr…

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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 5.61 -34.35 2 4 1 42 238.355 3 ↓
Hi High (pH 8-9.5) 0.98 3.4 -5.32 1 4 0 41 237.347 3 ↓
Mid Mid (pH 6-8) 0.98 6.03 -85.06 3 4 2 44 239.363 3 ↓

Parameters Provided:

ring.id = 25668
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 = 25668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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