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Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazole-1,5-diamine 4-(2,3-dihydro-1,4-benzodioxin-6…

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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) 0.17 3.96 -35.5 5 6 1 90 233.251 1 ↓
Mid Mid (pH 6-8) 0.17 3.54 -12.09 4 6 0 88 232.243 1 ↓

Analogs

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Popular Name: 4-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole-1,5-diamine 4-(8-chloro-2,3-dihydro-1,4-benz…

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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 4.51 -37.05 5 6 1 90 267.696 1 ↓
Mid Mid (pH 6-8) 0.97 4.09 -10.73 4 6 0 88 266.688 1 ↓

Analogs

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Popular Name: 4-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole-1,5-diamine 4-(8-bromo-2,3-dihydro-1,4-benzo…

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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) 1.10 4.63 -36.89 5 6 1 90 312.147 1 ↓
Mid Mid (pH 6-8) 1.10 4.21 -10.6 4 6 0 88 311.139 1 ↓

Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-imidazole-1,5-diamine 4-(2,3-dihydro-1,4-benzodioxin-6…

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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) 0.26 3.81 -30.53 5 6 1 90 247.278 1 ↓
Hi High (pH 8-9.5) 0.26 3.41 -12.27 4 6 0 88 246.27 1 ↓

Analogs

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Popular Name: 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-imidazole-1,5-diamine 4-(5-chloro-2,3-dihydro-1,4-benz…

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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) 1.06 4.35 -31.81 5 6 1 90 281.723 1 ↓
Hi High (pH 8-9.5) 1.06 3.96 -10.74 4 6 0 88 280.715 1 ↓

Analogs

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Popular Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-imidazole-1,5-diamine 4-(5-bromo-2,3-dihydro-1,4-benzo…

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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) 1.19 4.47 -31.68 5 6 1 90 326.174 1 ↓
Hi High (pH 8-9.5) 1.19 4.08 -10.67 4 6 0 88 325.166 1 ↓

Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-imidazole-1,5-diamine 4-(2,3-dihydro-1,4-benzodioxin-6…

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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) 0.83 4.42 -29.49 5 6 1 90 261.305 2 ↓
Hi High (pH 8-9.5) 0.83 4.02 -12.12 4 6 0 88 260.297 2 ↓

Analogs

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Popular Name: 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethyl-imidazole-1,5-diamine 4-(5-chloro-2,3-dihydro-1,4-benz…

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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) 1.63 4.96 -30.63 5 6 1 90 295.75 2 ↓
Hi High (pH 8-9.5) 1.63 4.57 -10.65 4 6 0 88 294.742 2 ↓

Analogs

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Popular Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethyl-imidazole-1,5-diamine 4-(5-bromo-2,3-dihydro-1,4-benzo…

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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) 1.76 5.09 -30.57 5 6 1 90 340.201 2 ↓
Hi High (pH 8-9.5) 1.76 4.69 -10.52 4 6 0 88 339.193 2 ↓

Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propyl-imidazole-1,5-diamine 4-(2,3-dihydro-1,4-benzodioxin-6…

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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 5.2 -29.75 5 6 1 90 275.332 3 ↓
Hi High (pH 8-9.5) 1.33 4.8 -11.94 4 6 0 88 274.324 3 ↓

Analogs

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Popular Name: 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propyl-imidazole-1,5-diamine 4-(5-chloro-2,3-dihydro-1,4-benz…

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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) 2.13 5.75 -30.96 5 6 1 90 309.777 3 ↓
Hi High (pH 8-9.5) 2.13 5.35 -10.44 4 6 0 88 308.769 3 ↓

Analogs

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Popular Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propyl-imidazole-1,5-diamine 4-(5-bromo-2,3-dihydro-1,4-benzo…

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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) 2.27 5.87 -30.73 5 6 1 90 354.228 3 ↓
Hi High (pH 8-9.5) 2.27 5.47 -10.33 4 6 0 88 353.22 3 ↓

Analogs

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Popular Name: 2-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazole-1,5-diamine 2-tert-butyl-4-(2,3-dihydro-1,4-…

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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) 1.98 5.5 -27.91 5 6 1 90 289.359 2 ↓
Hi High (pH 8-9.5) 1.98 5.1 -12.05 4 6 0 88 288.351 2 ↓

Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isopropyl-imidazole-1,5-diamine 4-(2,3-dihydro-1,4-benzodioxin-6…

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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) 1.31 5.01 -28.35 5 6 1 90 275.332 2 ↓
Hi High (pH 8-9.5) 1.31 4.49 -11.84 4 6 0 88 274.324 2 ↓

Analogs

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Popular Name: 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-isopropyl-imidazole-1,5-diamine 4-(5-chloro-2,3-dihydro-1,4-benz…

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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) 2.12 5.55 -29.49 5 6 1 90 309.777 2 ↓
Hi High (pH 8-9.5) 2.12 5.04 -10.33 4 6 0 88 308.769 2 ↓

Analogs

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Popular Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-isopropyl-imidazole-1,5-diamine 4-(5-bromo-2,3-dihydro-1,4-benzo…

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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) 2.25 5.68 -29.28 5 6 1 90 354.228 2 ↓
Hi High (pH 8-9.5) 2.25 5.16 -10.22 4 6 0 88 353.22 2 ↓

Analogs

44651843
44651843

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Popular Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]methanamine [5-(2,3-dihydro-1,4-benzodioxin-…

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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) 0.40 1.98 -52.83 4 5 1 75 232.263 2 ↓
Hi High (pH 8-9.5) 0.40 1.55 -8.89 3 5 0 73 231.255 2 ↓

Analogs

8656013
8656013

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Popular Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]ethanamine 2-[5-(2,3-dihydro-1,4-benzodioxi…

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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) 0.20 2.7 -52.9 4 5 1 75 246.29 3 ↓
Mid Mid (pH 6-8) 0.20 3.11 -113.73 5 5 2 76 247.298 3 ↓

Analogs

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Popular Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine 1-[4-(2,3-dihydro-1,4-benzodioxi…

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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) -0.18 3.93 -56.19 4 5 1 75 274.344 3 ↓
Hi High (pH 8-9.5) -0.18 4.26 -7.82 3 5 0 73 273.336 3 ↓
Hi High (pH 8-9.5) -0.18 3.61 -11.57 3 5 0 73 273.336 3 ↓

Analogs

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Popular Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine 1-[4-(2,3-dihydro-1,4-benzodioxi…

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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) -0.18 3.54 -49.02 4 5 1 75 274.344 3 ↓
Hi High (pH 8-9.5) -0.18 4.1 -7.42 3 5 0 73 273.336 3 ↓
Hi High (pH 8-9.5) -0.18 3.23 -11.39 3 5 0 73 273.336 3 ↓

Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-2-carbaldehyde 4-(2,3-dihydro-1,4-benzodioxin-6…

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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) 1.00 3.7 -21.11 1 5 0 64 230.223 2 ↓

Parameters Provided:

ring.id = 26853
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 = 26853 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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