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Analogs

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Popular Name: 2-(2-naphthyl)-1H-imidazole-4-carboxylic 2-(2-naphthyl)-1H-imidazole-4-ca…

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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) 3.04 7.82 -59.46 1 4 -1 69 237.238 2 ↓
Lo Low (pH 4.5-6) 3.04 8.23 -35.26 2 4 0 70 238.246 2 ↓

Analogs

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Popular Name: 2-(6-methoxy-2-naphthyl)-1H-imidazole-4-carboxylic 2-(6-methoxy-2-naphthyl)-1H-imid…

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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) 3.07 7.13 -58.37 1 5 -1 78 267.264 3 ↓
Lo Low (pH 4.5-6) 3.07 7.54 -37.93 2 5 0 79 268.272 3 ↓

Analogs

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Popular Name: methyl 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) 3.30 7.85 -11.86 1 4 0 55 252.273 3 ↓

Analogs

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Popular Name: methyl 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) 3.33 7.16 -12.46 1 5 0 64 282.299 4 ↓

Analogs

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Popular Name: [2-(2-naphthyl)-1H-imidazol-4-yl]methanamine [2-(2-naphthyl)-1H-imidazol-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) 2.65 5.26 -45.29 4 3 1 56 224.287 2 ↓
Hi High (pH 8-9.5) 2.65 4.83 -8.15 3 3 0 55 223.279 2 ↓

Analogs

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Popular Name: N-methyl-1-[2-(2-naphthyl)-1H-imidazol-4-yl]methanamine N-methyl-1-[2-(2-naphthyl)-1H-im…

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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) 3.02 7.13 -40.32 3 3 1 45 238.314 3 ↓
Hi High (pH 8-9.5) 3.02 5.68 -8.29 2 3 0 41 237.306 3 ↓

Analogs

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Popular Name: N-[[2-(2-naphthyl)-1H-imidazol-4-yl]methyl]ethanamine N-[[2-(2-naphthyl)-1H-imidazol-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) 3.40 7.99 -39.48 3 3 1 45 252.341 4 ↓
Hi High (pH 8-9.5) 3.40 6.61 -8.13 2 3 0 41 251.333 4 ↓

Analogs

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Popular Name: N-[[2-(2-naphthyl)-1H-imidazol-4-yl]methyl]propan-1-amine N-[[2-(2-naphthyl)-1H-imidazol-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) 3.90 8.75 -40.19 3 3 1 45 266.368 5 ↓
Hi High (pH 8-9.5) 3.90 7.38 -8.03 2 3 0 41 265.36 5 ↓

Analogs

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Popular Name: N-[[2-(2-naphthyl)-1H-imidazol-4-yl]methyl]propan-2-amine N-[[2-(2-naphthyl)-1H-imidazol-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) 3.70 8.52 -37.72 3 3 1 45 266.368 4 ↓
Hi High (pH 8-9.5) 3.70 7.29 -7.95 2 3 0 41 265.36 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-naphthyl)-1H-imidazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-(2-naphthyl)-1H-i…

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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) 4.21 8.94 -36.46 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 4.21 7.69 -7.78 2 3 0 41 279.387 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-naphthyl)-1H-imidazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-(2-naphthyl)-1H-i…

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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) 4.15 9.44 -40.36 3 3 1 45 280.395 5 ↓
Hi High (pH 8-9.5) 4.15 8.21 -7.76 2 3 0 41 279.387 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(2-naphthyl)-1H-imidazol-4-yl]methyl]ethanamine 2-methoxy-N-[[2-(2-naphthyl)-1H-…

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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) 3.01 7.13 -40.88 3 4 1 55 282.367 6 ↓
Hi High (pH 8-9.5) 3.01 5.77 -10.07 2 4 0 50 281.359 6 ↓

Parameters Provided:

ring.id = 17875
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 = 17875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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